SCHEMBL7349349

SCHEMBL7349349

CC(Br)OC(=O)c1n[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.66
▸ STAT3 P40763 1/20 0.66
▸ HIF1A Q16665 1/20 0.66
▸ ALDH1A1 P00352 2/20 0.56
▸ YTHDC1 Q96MU7 1/20 0.54
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ FLT3 P36888 2/20 0.49
▸ CCNA2 P20248 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CCNA1 P78396 1/20 0.48

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
SCHEMBL7351471 0.83 KDM4E (0.62) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL22284877 0.83 KDM4E (0.62) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL25380488 0.80 KDM4E (0.71) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL498053 0.80 KDM4E (1.00) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL29805260 0.80 KDM4E (1.00) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL928139 0.78 KDM4E (0.72) KDM4ESTAT3HIF1AALDH1A1NPC1
SCHEMBL7982729 0.78 KDM4E (0.56) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL7348325 0.78 KDM4E (0.56) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL11485891 0.76 KDM4E (0.71) KDM4ESTAT3HIF1AALDH1A1YTHDC1
SCHEMBL18858493 0.76 KDM4E (0.61) KDM4ESTAT3HIF1AALDH1A1YTHDC1

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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