SCHEMBL4676376

SCHEMBL4676376

c1ccc(-c2nc3cc(N4CC[N]CC4)ccc3o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ HPGD P15428 3/20 0.54
▸ CASP3 P42574 2/20 0.54
▸ SENP7 Q9BQF6 2/20 0.54
▸ SENP6 Q9GZR1 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ S1PR1 P21453 5/20 0.50
▸ S1PR3 Q99500 3/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.46
▸ UTRN P46939 1/20 0.46
▸ ACACB O00763 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL4676381 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AKDM4EHPGD
SCHEMBL29479840 0.77 PIK3CB (0.57) SMN1; SMN2NPC1RAB9AKDM4EHPGD
SCHEMBL2247599 0.76 NPC1 (0.62) SMN1; SMN2NPC1RAB9AKDM4EHPGD
SCHEMBL1675431 0.74 KDM4E (0.54) KDM4EHPGDS1PR1S1PR3HDAC6
SCHEMBL13528498 0.74 NPC1 (0.72) SMN1; SMN2NPC1RAB9AKDM4EHPGD
SCHEMBL26928757 0.73 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKDM4EHPGD
SCHEMBL38661261 0.73 NPC1 (0.53) SMN1; SMN2NPC1RAB9AKDM4EHPGD
SCHEMBL7905531 0.73 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AKDM4EHPGD
SCHEMBL2244575 0.73 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AKDM4EHPGD
SCHEMBL12171676 0.73 S1PR1 (0.48) SMN1; SMN2NPC1RAB9AKDM4EHPGD

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-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 — — EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 — — EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 — — US disclosed
Send feedback