SCHEMBL9013795

SCHEMBL9013795

NCCB(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TRPM2 O94759 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR2A P28223 4/20 0.40
TAAR1 Q96RJ0 3/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
CYP2A6 P11509 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ORAI1 Q96D31 2/20 0.38

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
SCHEMBL29614591 0.82 TSHR (0.48) CYP1A2KDM4EMEN1TRPM2ALDH1A1
SCHEMBL29614620 0.78 TSHR (0.44) CYP1A2KDM4EMEN1TRPM2ALDH1A1
Ethylenediamine SCHEMBL7559944 0.72 KDM4E (0.56) CYP1A2KDM4EMEN1TRPM2ALDH1A1
SCHEMBL1267934 0.72 PCSK9 (0.35) CYP1A2KDM4EMEN1TRPM2ALDH1A1
SCHEMBL6663731 0.70 PCSK9 (0.63) MEN1MAPK1KMT2ATDP1SMN1; SMN2
SCHEMBL5710442 0.69 PCSK9 (0.55) CYP1A2MEN1ALDH1A1MAPK1KMT2A
Phenylboronic Acid SCHEMBL29006693 0.68 ENPP2 (0.74) CYP1A2KDM4EMEN1TRPM2ALDH1A1
SCHEMBL23367835 0.67 PCSK9 (0.53) CYP1A2MEN1ALDH1A1CYP3A4MAPK1
SCHEMBL1040896 0.67 MAOA (0.50) MAOACYP2D6
SCHEMBL6661937 0.67 PCSK9 (0.53) CYP1A2MEN1ALDH1A1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474157-B1 Method for producing a stereospecific polyolefin TOSOH CORP (JP) 1996-12-04 EP disclosed
EP-0504744-B1 Method for producing a stereospecific polyolefin TOSOH CORP (JP) 1996-07-17 EP disclosed
EP-0376145-B1 Method for producing a stereoregular polyolefin TOSOH CORP (JP) 1994-03-23 EP disclosed
US-5244989-A METHOD FOR PRODUCING A STEREOSPECIFIC POLYOLEFIN TOSOH CORPORATION (JP) 1993-09-14 US disclosed
US-5229476-A Catalyst system comprising a transition metal compound and an organometallic compound TOSOH CORPORATION (JP) 1993-07-20 US disclosed
EP-0504744-A2 Method for producing a stereospecific polyolefin TOSOH CORPORATION (JP) 1992-09-23 EP disclosed
US-5112927-A Coordination Catalyst TOSOH CORPORATION (JP) 1992-05-12 US disclosed
EP-0474157-A1 Method for producing a stereospecific polyolefin Tosoh Corporation (JP) 1992-03-11 EP disclosed
EP-0376145-A2 Method for producing a stereoregular polyolefin Tosoh Corporation (JP) 1990-07-04 EP disclosed