SCHEMBL44780

SCHEMBL44780

Cc1cn2cc(-c3cccc(CNS(=O)(=O)c4cccc(Cl)c4)c3)nc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
PKM P14618 1/20 0.44
HSD11B1 P28845 7/20 0.43
TP53 P04637 1/20 0.43
KDM1A O60341 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MAOA P21397 1/20 0.41
CYP19A1 P11511 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
GPR17 Q13304 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41

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 0.89 SMN1; SMN2 (0.50) ALDH1A1TP53SMN1; SMN2MAPTUSP2
SCHEMBL44918 0.86 CYP19A1 (0.44) ALDH1A1TP53SMN1; SMN2MAPTUSP2
SCHEMBL39342 0.86 CYP19A1 (0.53) ALDH1A1TP53SMN1; SMN2MAPTUSP2
SCHEMBL44139 0.85 ALDH1A1 (0.43) ALDH1A1HSD11B1TP53SMN1; SMN2MAPT
SCHEMBL39660 0.84 CYP19A1 (0.56) ALDH1A1TP53MAPTLMNACYP19A1
SCHEMBL44636 0.83 TP53 (0.43) ALDH1A1TP53SMN1; SMN2MAPTUSP2
SCHEMBL44557 0.83 KMT2A (0.40) ALDH1A1TP53SMN1; SMN2MAPTUSP2
SCHEMBL45229 0.81 TP53 (0.41) ALDH1A1PKMTP53SMN1; SMN2MAPT
SCHEMBL3667489 0.79 F2RL3 (0.54) TP53SMN1; SMN2MAPTLMNACYP19A1
SCHEMBL44483 0.79 RAB9A (0.52) ALDH1A1TP53SMN1; SMN2MAPTMEN1

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