SCHEMBL10372173

SCHEMBL10372173

COc1ccc2c(OCc3ccccc3)c(C(=O)Nc3nnn[nH]3)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAOB P27338 4/20 0.41
▸ MAOA P21397 2/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ ACHE P22303 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ SCD O00767 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
SCHEMBL10371048 0.93 NPC1 (0.48) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL10370990 0.87 KDM4E (0.44) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL10373082 0.85 LRRK2 (0.42) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL10373075 0.85 LRRK2 (0.41) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL10336010 0.82 MPO (0.42) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL9374999 0.82 SENP5 (0.53) LRRK2SCD
SCHEMBL6568264 0.80 SENP5 (0.49) LRRK2SCD
SCHEMBL10371693 0.79 KDM4E (0.59) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL11563381 0.79 LRRK2 (0.55) NPC1RAB9AKDM4ELRRK2ALDH1A1
SCHEMBL10372642 0.79 NPC1 (0.50) NPC1RAB9AKMT2AMEN1KDM4E

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
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 — — EP claimed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 — — US claimed
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 — — EP disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 — — US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 — — EP disclosed
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