SCHEMBL8926575

SCHEMBL8926575

C=CCn1ccnc1-c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.42
HTR2A P28223 1/20 0.42
KMT2A Q03164 1/20 0.39
ALOX12 P18054 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
DHFR P00374 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3399314 0.81 KMT2A (0.55) HTR2CHTR2AKMT2ANISCHKDM4E
SCHEMBL28219132 0.78 HTR2C (0.45) HTR2CHTR2AALOX12L3MBTL1TDP1
SCHEMBL16371569 0.76 ALDH1A1 (0.35) KMT2ATDP1LMNAALDH1A1HSD17B10
SCHEMBL9444559 0.75 ESR1 (0.54) L3MBTL1KDM4EGAAHPGDALDH1A1
SCHEMBL7644288 0.75 TLR8 (0.55) HTR2CHTR2AKMT2AALDH1A1
SCHEMBL18010784 0.74 ALDH1A1 (0.43) L3MBTL1TDP1KDM4EHPGDLMNA
SCHEMBL11046318 0.74 ALDH1A1 (0.55) KMT2AL3MBTL1TDP1PDE4BGAA
SCHEMBL5486071 0.72 HTR2C (0.66) HTR2CHTR2AKMT2AL3MBTL1NISCH
SCHEMBL7027182 0.71 L3MBTL1 (0.39) L3MBTL1KDM4EGAAHPGDNPC1
SCHEMBL19961723 0.70 HTR2C (0.46) HTR2CHTR2AL3MBTL1NISCHKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5676884-A Nonlinear optical materials containing polar disulfone-functionalized molecules MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-14 US disclosed
US-5578251-A NONLINEAR-OPTICAL RESPONSE; ALKYLATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-26 US disclosed
US-5360582-A Compositions with polymers for light sensitive elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-01 US disclosed
EP-0594697-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-04 EP disclosed
WO-1993002383-A1 NONLINEAR OPTICAL MATERIALS CONTAINING POLAR DISULFONE-FUNCTIONALIZED MOLECULES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-02-04 WO disclosed