SCHEMBL7348329

SCHEMBL7348329

O=C(OCCC#Cc1ccccc1)c1n[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.65
▸ RAB9A P51151 4/20 0.65
▸ KDM4E B2RXH2 11/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ MAPT P10636 5/20 0.54
▸ HTT P42858 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ STAT3 P40763 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ GAA P10253 1/20 0.48
▸ TP53 P04637 1/20 0.47

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
SCHEMBL7351475 0.78 NPC1 (0.73) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL29687771 0.77 KDM4E (0.71) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL7349354 0.77 KDM4E (0.71) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL7982730 0.77 NPC1 (0.68) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL6599812 0.76 KDM4E (0.70) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL959364 0.76 KDM4E (1.00) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL29709972 0.76 KDM4E (1.00) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL27674221 0.75 TDP1 (0.62) SMN1; SMN2MAPK1HIF1ALMNAALDH1A1
SCHEMBL958967 0.75 KDM4E (0.72) NPC1RAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL7348325 0.74 KDM4E (0.56) NPC1RAB9AKDM4ESMN1; SMN2MAPT

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
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 — — US disclosed
WO-1998043962-A1 HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS DU PONT PHARMACEUTICALS COMPANY (US) 1998-10-08 — — WO disclosed
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
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