SCHEMBL39342

SCHEMBL39342

Cc1cn2cc(-c3cccc(CNS(=O)(=O)c4ccc(F)cc4)c3)nc2s1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.53
TP53 P04637 6/20 0.49
LMNA P02545 4/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
KIT P10721 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CNR1 P21554 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL44302 0.91 SMN1; SMN2 (0.50) CYP19A1TP53LMNAMAPTPOLB
SCHEMBL39660 0.89 CYP19A1 (0.56) CYP19A1TP53LMNAMAPTPOLB
SCHEMBL44780 0.86 ALDH1A1 (0.44) CYP19A1TP53LMNAMAPTKMT2A
SCHEMBL45229 0.86 TP53 (0.41) CYP19A1TP53LMNAMAPTPOLB
SCHEMBL44636 0.84 TP53 (0.43) CYP19A1TP53LMNAMAPTKMT2A
SCHEMBL44557 0.83 KMT2A (0.40) CYP19A1TP53LMNAMAPTPOLB
SCHEMBL44918 0.83 CYP19A1 (0.44) CYP19A1TP53LMNAMAPTPOLB
SCHEMBL44054 0.82 MAPT (0.53) TP53LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL44139 0.82 ALDH1A1 (0.43) CYP19A1TP53LMNAMAPTHSD17B1
SCHEMBL44862 0.78 GAA (0.47) CYP19A1TP53LMNAMAPTPOLB

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-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed