SCHEMBL9989438

SCHEMBL9989438

COc1cc(OC)c(NC(=O)Nc2cccc3c2CCN3Cc2ccnc(N)c2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
GPR52 Q9Y2T5 2/20 0.44
LMNA P02545 2/20 0.42
CHEK1 O14757 1/20 0.42
TP53 P04637 1/20 0.42
EPHB4 P54760 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CHRNA7 P36544 1/20 0.39
HPGD P15428 1/20 0.39
SHMT2 P34897 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
SCHEMBL166071 0.85 ALDH1A1 (0.42) MAPTGPR52LMNATP53EPHB4
SCHEMBL167233 0.82 ALDH1A1 (0.47) MAPTGPR52LMNAEPHB4MEN1
SCHEMBL5592945 0.78 MAPT (0.50) MAPTLMNACHEK1TP53EPHB4
SCHEMBL165141 0.78 ALDH1A1 (0.42) MAPTGPR52LMNAEPHB4MEN1
SCHEMBL15077844 0.74 MAPT (0.41) MAPTGPR52LMNATP53EPHB4
SCHEMBL5593101 0.72 MAPT (0.43) MAPTLMNACHEK1TP53EPHB4
SCHEMBL3707818 0.71 ALDH1A1 (0.46) MAPTLMNAEPHB4MEN1KMT2A
SCHEMBL256206 0.71 ALDH1A1 (0.57) MAPTLMNAMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3699244 0.71 ALDH1A1 (0.45) MAPTLMNAEPHB4MEN1KMT2A
SCHEMBL8118613 0.70 MAPT (0.50) MAPTLMNACHEK1TP53MEN1

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
EP-2397478-A1 1,3-diaryl substituted ureas as modulators of kinase activity. CGI Pharmaceuticals, Inc. (US) 2011-12-21 EP disclosed