SCHEMBL14465083

SCHEMBL14465083

Cc1ccc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)o1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.51
MAPK1 P28482 2/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
RAB9A P51151 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
SCHEMBL13500264 0.73 CDK8 (0.47) GAAMAPTALDH1A1KMT2ARAB9A
SCHEMBL14433948 0.72 MEN1 (0.69) S1PR2TP53LMNAGAAMAPT
SCHEMBL18415480 0.71 ALDH1A1 (0.51) MAPTALDH1A1HPGDKMT2A
SCHEMBL3585164 0.71 LCK (0.46) MAPK1TP53MAPTALDH1A1RAB9A
SCHEMBL9598851 0.71 S1PR2 (0.65) S1PR2MAPTALDH1A1KMT2ARAB9A
SCHEMBL22125334 0.71 S1PR2 (1.00) S1PR2LMNAMAPTALDH1A1NPSR1
SCHEMBL13190872 0.71 EPHX2 (0.48) LMNAMAPTALDH1A1HPGDKMT2A
SCHEMBL33528965 0.70 ALDH1A1 (0.50) MAPTALDH1A1HPGDKMT2A
SCHEMBL14433835 0.70 ALDH1A1 (0.54) MAPK1LMNAGAAMAPTALDH1A1
SCHEMBL17593381 0.70 ALDH1A1 (0.39) GAAMAPTALDH1A1HPGDKMT2A

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-2007076055-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2007-07-05 WO disclosed