SCHEMBL6918323

SCHEMBL6918323

O=C(Nc1ccc(Cl)cc1-c1nnn[nH]1)c1cc2cccc(NC(=O)c3cccs3)c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK33 Q9BYT3 7/20 0.51
KCNMA1 Q12791 1/20 0.45
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL6914494 0.90 GPR35 (0.49) STK33MEN1KMT2ANPC1RAB9A
SCHEMBL6712171 0.88 KDM4E (0.43) STK33MAPTMEN1KMT2ANPC1
SCHEMBL6709175 0.88 STK33 (0.40) STK33MAPTMEN1KMT2ANPC1
SCHEMBL6710112 0.87 MAP3K5 (0.45) STK33MAPTTP53NPC1RAB9A
SCHEMBL6713754 0.87 SERPINE1 (0.43) STK33KCNMA1KDM4EPLCG2NPSR1
SCHEMBL6711906 0.86 NHERF1 (0.46) STK33NPC1RAB9ALMNAPLCG2
SCHEMBL6708019 0.85 GPR35 (0.44) STK33MAPTTDP1GPR35PLCG2
SCHEMBL6711816 0.85 PLCG2 (0.44) STK33KCNMA1MAPTTP53MEN1
SCHEMBL6710087 0.84 PLCG2 (0.39) STK33MAPTTP53MEN1KMT2A
SCHEMBL6709211 0.84 PLCG2 (0.39) STK33MAPTTP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed