SCHEMBL9734281

SCHEMBL9734281

CNC(=O)Cc1c(F)cccc1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
MAPK8 P45983 1/20 0.49
GLS O94925 2/20 0.47
DNMT3B Q9UBC3 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
ANO1 Q5XXA6 1/20 0.44
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL12851348 0.88 TP53 (0.67) TP53SMN1; SMN2MAPK8NPC1RAB9A
SCHEMBL2391690 0.84 LMNA (0.49) TP53SMN1; SMN2NPC1RAB9AGAA
SCHEMBL13329793 0.82 GPR119 (0.42) TP53SMN1; SMN2ANO1
SCHEMBL8979538 0.81 TP53 (0.51) TP53SMN1; SMN2GLSDNMT3BNPC1
SCHEMBL25913581 0.80 P2RX7 (0.41) TP53SMN1; SMN2ALDH1A1POLB
SCHEMBL7023940 0.80 MAPK8 (0.53) SMN1; SMN2MAPK8GLSDNMT3BNPC1
SCHEMBL9890781 0.80 TP53 (0.42) TP53SMN1; SMN2NPC1RAB9AGAA
SCHEMBL21776096 0.78 ALDH1A1 (0.56) SMN1; SMN2MAPK8GLSNPC1RAB9A
SCHEMBL8572763 0.78 P2RX7 (0.41) TP53SMN1; SMN2NPC1RAB9A
SCHEMBL27036782 0.78 KMT2A (0.44) TP53SMN1; SMN2NPC1RAB9AGAA

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
US-5098922-A Anticonvulsants CIBA-GEIGY CORPORATION (US) 1992-03-24 US disclosed
US-5045556-A Aralkyl-4H-1,2,4-triazole derivatives CIBA-GEIGY CORPORATION (US) 1991-09-03 US disclosed