SCHEMBL44483

SCHEMBL44483

Cc1cn2cc(-c3cccc(CNC(=O)Nc4cccc(Cl)c4)c3)nc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MTOR P42345 1/20 0.48
EPHB4 P54760 2/20 0.47
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
ROCK2 O75116 2/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
ROCK1 Q13464 1/20 0.45
TP53 P04637 1/20 0.45
NAMPT P43490 1/20 0.44

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
SCHEMBL44674 0.87 MAPT (0.52) RAB9ANPC1SMN1; SMN2MAPTEPHB4
SCHEMBL45795 0.82 CHRM3 (0.49) SMN1; SMN2MAPTKDM4ETDP1TP53
SCHEMBL44054 0.81 MAPT (0.53) SMN1; SMN2MAPTKMT2AKDM4ETHRB
SCHEMBL44862 0.80 GAA (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL44856 0.80 F3 (0.51) SMN1; SMN2MAPTEPHB4TP53NAMPT
SCHEMBL45277 0.79 TP53 (0.49) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL44780 0.79 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3667489 0.78 F2RL3 (0.54) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL38543 0.78 WDR5 (0.45) RAB9AMAPTMTOR
SCHEMBL44495 0.78 WDR5 (0.55) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A

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 2 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