SCHEMBL6954685

SCHEMBL6954685

CN(C)C(=O)Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40

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
SCHEMBL6950527 0.92 MEN1 (0.42) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL6954922 0.92 PKM (0.41) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL6949310 0.89 KCNK3 (0.40) MEN1KMT2AKDM4EMAPTHPGD
SCHEMBL6951194 0.89 RAB9A (0.44) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL6954712 0.89 CNR1 (0.42) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL6948046 0.88 CNR1 (0.43) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL6954387 0.87 CNR1 (0.41) CNR1TP53ALOX15
SCHEMBL7503003 0.87 KDM4E (0.54) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL6953063 0.87 MEN1 (0.46) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL7502892 0.85 SERPINE1 (0.48) MEN1NPC1RAB9AKMT2AKDM4E

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-0985666-B1 Substituted indole compounds as COX-2 inhibitors PFIZER (US) 2003-11-05 EP claimed
US-6277878-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS PFIZER INC 2001-08-21 US claimed
EP-0985666-A1 Substituted indole compounds as COX-2 inhibitors PFIZER INC. (US) 2000-03-15 EP claimed
EP-0985666-B1 Substituted indole compounds as COX-2 inhibitors PFIZER (US) 2003-11-05 EP disclosed
US-6277878-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS PFIZER INC 2001-08-21 US disclosed
EP-0985666-A1 Substituted indole compounds as COX-2 inhibitors PFIZER INC. (US) 2000-03-15 EP disclosed