SCHEMBL5488208

SCHEMBL5488208

CONC(=O)c1c(NC(=O)c2cc(F)cc(N3CCCC3)c2)ccnc1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.49
SMO Q99835 1/20 0.49
DDR2 Q16832 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
PLAU P00749 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.38
HDAC1 Q13547 1/20 0.38
GRM5 P41594 1/20 0.38
ALOX15 P16050 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37

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
SCHEMBL5495156 0.89 MAPK14 (0.49) MAPK14SMODDR2SMN1; SMN2TSHR
SCHEMBL5489952 0.88 MAPK14 (0.48) MAPK14SMODDR2SMN1; SMN2TSHR
SCHEMBL5481692 0.72 MAPK14 (0.77) MAPK14SMODDR2MAPK13MAPK12
SCHEMBL5489948 0.71 MAPK14 (0.48) MAPK14SMOSMN1; SMN2TSHRNPC1
SCHEMBL10130385 0.70 DDR2 (0.54) MAPK14SMODDR2MAPK12
SCHEMBL5489954 0.69 GRM5 (0.44) MAPK14SMOSMN1; SMN2TSHRNPC1
SCHEMBL10130489 0.69 DDR2 (0.53) MAPK14SMODDR2SMN1; SMN2TSHR
SCHEMBL5480980 0.69 MAPK14 (0.46) MAPK14SMOSMN1; SMN2TSHRNPC1
SCHEMBL12764365 0.69 SMN1; SMN2 (0.58) MAPK14SMOSMN1; SMN2TSHRNPC1
SCHEMBL6483771 0.68 MAPK14 (0.54) MAPK14SMOSMN1; SMN2TSHRNPC1

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed