SCHEMBL9043085

SCHEMBL9043085

CC(=O)Nc1cccc(-c2nc3ncccc3[nH]2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.68
ALDH1A1 P00352 5/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
TP53 P04637 3/20 0.65
HPGD P15428 3/20 0.65
HSD17B10 Q99714 3/20 0.65
POLB P06746 3/20 0.65
FAAH O00519 2/20 0.64
HPSE Q9Y251 2/20 0.60
AURKA O14965 2/20 0.58
PARP1 P09874 1/20 0.58
DHODH Q02127 1/20 0.58
PRMT5 O14744 1/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL6258154 0.86 HPSE (0.81) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14027836 0.84 AURKA (0.62) KDM4EALDH1A1SMN1; SMN2HPGDFAAH
SCHEMBL2244254 0.81 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2740026 0.81 AURKA (0.69) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9043285 0.80 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2740027 0.79 AURKA (0.61) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14027835 0.77 KDM4E (0.65) KDM4EALDH1A1SMN1; SMN2HPGDFAAH
SCHEMBL7393911 0.76 AURKA (0.66) FAAHHPSEAURKAPARP1PRMT5
SCHEMBL4057633 0.76 MEN1 (0.53) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29066590 0.74 LMNA (0.60) KDM4EALDH1A1KMT2AHPGDHPSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700906-A1 Heterocyclic derivatives of N-phenylamides BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-13 EP claimed
US-5496826-A ANTICONVULSANTS, MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-03-05 US claimed
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