SCHEMBL6633256

SCHEMBL6633256

O=C1NC(Cc2ccccc2)C(=O)Nc2cc3ccccc3cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.44
MGAT2 Q10469 1/20 0.42
GFER P55789 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 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
SCHEMBL9054730 0.82 GFER (0.52) HDAC8MGAT2GFERKDM4EMEN1
SCHEMBL8871789 0.82 GFER (0.52) HDAC8MGAT2GFERKDM4EMEN1
SCHEMBL8871785 0.82 GFER (0.52) HDAC8MGAT2GFERKDM4EMEN1
SCHEMBL6620939 0.81 CCKBR (0.47) HDAC8MGAT2MEN1KMT2A
SCHEMBL6635223 0.81 CCKBR (0.47) HDAC8MGAT2MEN1KMT2A
SCHEMBL9054969 0.81 HDAC8 (0.43) HDAC8MGAT2GFERMAOAMAOB
SCHEMBL6616775 0.81 MAOA (0.51) HDAC8MGAT2GFERKDM4EMEN1
SCHEMBL6619605 0.81 GABRA1 (0.46) HDAC8MGAT2GFERTP53MAPT
SCHEMBL6617124 0.81 GABRA1 (0.46) HDAC8MGAT2GFERTP53MAPT
SCHEMBL8873847 0.81 CES1 (0.44) HDAC8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed