SCHEMBL6258154

SCHEMBL6258154

CC(=O)Nc1ccc(-c2nc3ncccc3[nH]2)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 2/20 0.81
PRMT5 O14744 1/20 0.72
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
TP53 P04637 2/20 0.65
HPGD P15428 2/20 0.65
HSD17B10 Q99714 2/20 0.65
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
PARP1 P09874 1/20 0.60
DHODH Q02127 1/20 0.60
AURKA O14965 3/20 0.58
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL9043085 0.86 KDM4E (0.68) HPSEPRMT5KDM4EALDH1A1TP53
SCHEMBL6244081 0.84 PRMT5 (1.00) HPSEPRMT5NPC1RAB9AAURKA
SCHEMBL6529592 0.83 HPSE (1.00) HPSEPRMT5
SCHEMBL14022276 0.82 HPSE (0.65) HPSEPRMT5AURKA
SCHEMBL6528618 0.81 HPSE (0.77) HPSEPRMT5KDM4EALDH1A1TP53
SCHEMBL2244714 0.80 HPSE (0.79) HPSEKDM4EALDH1A1TP53HPGD
SCHEMBL23999972 0.79 KDM4E (0.60) HPSEPRMT5KDM4EALDH1A1TP53
SCHEMBL13405867 0.79 KDM4E (1.00) HPSEKDM4EALDH1A1TP53HPGD
SCHEMBL14022277 0.78 PRMT5 (0.67) HPSEPRMT5KDM4EALDH1A1HPGD
SCHEMBL29066590 0.77 LMNA (0.60) HPSEPRMT5KDM4EALDH1A1HPGD

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
WO-2005030206-A1 ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-04-07 WO disclosed
EP-0700906-A1 Heterocyclic derivatives of N-phenylamides BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-13 EP disclosed
US-5496826-A ANTICONVULSANTS, MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-05 US disclosed