SCHEMBL8367495

SCHEMBL8367495

COC(=O)c1cccc(Oc2cccc(N)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
MAOB P27338 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.51
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 1/20 0.50
USP2 O75604 1/20 0.50
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
TNKS O95271 1/20 0.49
PARP15 Q460N3 1/20 0.49
PARP14 Q460N5 1/20 0.49
PARP10 Q53GL7 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
AKR1C3 P42330 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL2436534 0.90 L3MBTL1 (0.65) L3MBTL1LOXL2TP53SMN1; SMN2ALDH1A1
SCHEMBL5873911 0.89 SMN1; SMN2 (0.58) L3MBTL1LOXL2TP53SMN1; SMN2ALDH1A1
SCHEMBL134170 0.86 LOXL2 (0.61) LOXL2ALDH1A1NPC1HPGDRAB9A
SCHEMBL29836775 0.86 LOXL2 (0.61) LOXL2ALDH1A1NPC1HPGDRAB9A
SCHEMBL521860 0.85 AKR1C3 (0.68) L3MBTL1TP53SMN1; SMN2ALDH1A1TNKS
Hydrochloric Acid SCHEMBL2477797 0.84 LOXL2 (0.59) LOXL2ALDH1A1PRSS1NPC1HPGD
SCHEMBL883130 0.83 TNKS (0.60) L3MBTL1TP53SMN1; SMN2ALDH1A1PRSS1
SCHEMBL5558318 0.83 SMN1; SMN2 (0.66) L3MBTL1TP53SMN1; SMN2ALDH1A1MEN1
SCHEMBL25620305 0.83 MEN1 (0.59) L3MBTL1MAOBLOXL2TP53SMN1; SMN2
SCHEMBL311673 0.83 PBRM1 (0.61) MAOBSMN1; SMN2ALDH1A1CYP3A4TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841919-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-24 EP disclosed
EP-0841919-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-05-20 EP disclosed
US-5710171-A ANTICANCER AND ANTITUMOR AGENTS MERCK & CO., INC. (US) 1998-01-20 US disclosed
US-5631280-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1997-05-20 US disclosed
WO-1996037204-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-11-28 WO disclosed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed