SCHEMBL8553146

SCHEMBL8553146

COC(=O)Nc1c(C#N)c(C)nn1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.54
HPGD P15428 4/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.47
TP53 P04637 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ABCB1 P08183 1/20 0.42
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL8551653 0.81 NTRK1 (0.53) NTRK1HPGDALDH1A1KDM4ELMNA
SCHEMBL8554132 0.79 GAA (0.48) NTRK1HPGDALDH1A1KDM4ELMNA
SCHEMBL8550650 0.76 FPR1 (0.53) NTRK1ALDH1A1KDM4ELMNAHTT
SCHEMBL8557247 0.76 NTRK1 (0.51) NTRK1HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL8554342 0.76 NTRK1 (0.51) NTRK1HPGDALDH1A1KDM4ELMNA
SCHEMBL8553162 0.76 GAA (0.45) NTRK1HPGDALDH1A1KDM4ELMNA
SCHEMBL1984012 0.75 NTRK1 (0.48) NTRK1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8555862 0.75 NTRK1 (0.48) NTRK1ALDH1A1KDM4ELMNATSHR
SCHEMBL8559433 0.74 LRRK2 (0.46) NTRK1HPGDALDH1A1KDM4ELMNA
SCHEMBL8552895 0.73 FPR1 (0.48) NTRK1ALDH1A1LMNASMN1; SMN2HTT

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-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed