SCHEMBL9360323

SCHEMBL9360323

Oc1cc2ccc(SCc3ccccn3)cc2cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
CYP1A2 P05177 7/20 0.43
CYP2E1 P05181 6/20 0.43
CYP2C8 P10632 6/20 0.43
CYP2D6 P10635 6/20 0.43
CYP2C9 P11712 6/20 0.43
CYP2B6 P20813 6/20 0.43
CYP2C19 P33261 6/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HBB P68871 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 5/20 0.41

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
SCHEMBL9360229 0.81 DAO (0.54) DAORAB9ALMNA
SCHEMBL9656225 0.79 DAO (0.55) DAOSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL9360179 0.76 MAOA (0.51) DAOSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL11177471 0.75 GRM5 (0.50) DAOSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL29405082 0.75 NPC1 (0.59) DAOSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL432670 0.75 NPC1 (0.59) DAOSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL9364553 0.74 ANPEP (0.43) SMN1; SMN2NPC1RAB9AKDM4EMAPT
SCHEMBL9360622 0.73 BRD4 (0.39) DAOCYP1A2KDM4EMAPTLMNA
SCHEMBL6639465 0.73 NPC1 (0.50) DAOSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL9360635 0.72 BRD4 (0.38) DAONPC1RAB9AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419676-B1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LTD (JP) 1994-12-07 EP disclosed
EP-0419676-A1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LIMITED (JP) 1991-04-03 EP disclosed