SCHEMBL7748976

SCHEMBL7748976

Cc1c(N)cc(N)cc1C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TDO2 P48775 2/20 0.36
HTR2A P28223 2/20 0.33
PSMB5 P28074 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
NUDT1 P36639 1/20 0.30
BACE1 P56817 1/20 0.30
MAPT P10636 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10492495 0.98 TDO2 (0.38) KDM4EMEN1KMT2ATDP1TDO2
SCHEMBL3400010 0.74 TDO2 (0.35) TDO2HTR2APSMB5JAK2JAK1
SCHEMBL12964337 0.73 HTR2A (0.41) KDM4EHTR2AALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL28320459 0.73 TDO2 (0.37) KDM4EMEN1KMT2ATDO2HTR2A
SCHEMBL3400335 0.73 TDO2 (0.37) KDM4EMEN1KMT2ATDO2HTR2A
SCHEMBL3422636 0.72 TDO2 (0.36) KDM4EMEN1KMT2ATDO2HTR2A
SCHEMBL23675361 0.71 CHRNB2 (0.41) KDM4EMEN1KMT2ATDP1TDO2
SCHEMBL8747640 0.71 KDM4E (0.50) KDM4EMEN1KMT2ATDO2ALDH1A1
SCHEMBL10492691 0.71 BACE1 (0.40) TDO2ALDH1A1BACE1MAPTLMNA
SCHEMBL27698426 0.71 CHRNB2 (0.41) KDM4EMEN1KMT2ATDP1TDO2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149629-A1 Hydrogenation of aromatic amines using lithium aluminate as the catalyst support AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-10-31 EP disclosed
US-6184416-B1 THE USE OF A RHODIUM CATALYST CARRIED ON A LITHIUM ALUMINATE (LIAL5O8) SUPPORT RING HYDROGENATE AROMATIC AMINES; CATALYST SELECTIVITY; REUSE OF THE CATALYST; CAN BE USED WITH ALKALI METAL REACTION PROMOTERS; LOW WATER SOLUBILITY; KINETICS AIR PRODUCTS AND CHEMICALS, INC. 2001-02-06 US disclosed
US-6140540-A USING MIXTURE OF COBALT WITH RHODIUM, RUTHENIUM, PALLADIUM AND, OR PLATIMUM AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-10-31 US disclosed
EP-0781267-B1 METHOD OF INCREASING HYDROGENATION RATE OF AROMATIC AMINES ARCO CHEM TECH (US) 2000-02-09 EP disclosed
EP-0781267-A4 METHOD OF INCREASING HYDROGENATION RATE OF AROMATIC AMINES ARCO CHEM TECH (US) 1997-11-05 EP disclosed
EP-0618188-B1 Process for the preparation of cyclohexylamines by catalytic hydrogenation of anilines AIR PROD & CHEM (US) 1997-09-17 EP disclosed
EP-0781267-A1 METHOD OF INCREASING HYDROGENATION RATE OF AROMATIC AMINES ARCO Chemical Technology, L.P. (US) 1997-07-02 EP disclosed
US-5550294-A REACTING IN PRESENCE OF A NOBLE METAL CATALYST, A WATER MISCIBLE ORGANIC SOLVENT, LITHIUM HYDROXIDE CATALYST PROMOTER, AND WATER; BY-PRODUCT INHIBITION OLIN CORPORATION (US) 1996-08-27 US disclosed
US-5545756-A RHODIUM HYDROGENATION CATALYST ON SUPPORT AIR PRODUCTS AND CHEMICALS, INC. (US) 1996-08-13 US disclosed
WO-1996008462-A1 METHOD OF INCREASING HYDROGENATION RATE OF AROMATIC AMINES ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1996-03-21 WO disclosed
EP-0618188-A2 Process for the preparation of cyclohexylamines by catalytic hydrogenation of anilines AIR PRODUCTS AND CHEMICALS, INC. (US) 1994-10-05 EP disclosed
EP-0392435-B1 HYDROGENATION OF AROMATIC AMINES USING RHODIUM ON TITANIA OR ZIRCONIA SUPPORT AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-09-29 EP disclosed
WO-1993016030-A1 PROMOTERS FOR HYDROGENATION OF AROMATIC AMINES OLIN CORPORATION (US) 1993-08-19 WO disclosed
US-5214212-A Salt of transition or lanthanide metal as a promoter, reaction of methylenedianiline to produce corresponding cyclohexyl compound OLIN CORPORATION (US) 1993-05-25 US disclosed
US-5026914-A Catalyst selectivity AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-06-25 US disclosed
EP-0392435-A1 Hydrogenation of aromatic amines using rhodium on titania or zirconia support AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-10-17 EP disclosed