SCHEMBL8115267

SCHEMBL8115267

Cn1c(-c2ccc(-c3ccccn3)cc2)c(C(=O)Cl)c(=O)n1-c1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
FPR2 P25090 1/20 0.38
NR3C2 P08235 1/20 0.38
PDE4B Q07343 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TGFBR1 P36897 2/20 0.35
GRM5 P41594 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
GRIA1 P42261 1/20 0.35
GRIA3 P42263 1/20 0.35
PDE4D Q08499 1/20 0.35
ATM Q13315 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL8108281 0.91 NR3C2 (0.42) SLC11A2MEN1KMT2AMAPTFPR2
SCHEMBL8099596 0.86 NPEPPS (0.39) SLC11A2MEN1KMT2AMAPTFPR2
SCHEMBL8113217 0.71 MAPT (0.45) MEN1KMT2AMAPTFPR2ALDH1A1
SCHEMBL1010171 0.71 TGFBR1 (0.56) MEN1KMT2ATGFBR1GRM5KDM4E
SCHEMBL27652584 0.71 TGFBR1 (0.56) MEN1KMT2ATGFBR1GRM5KDM4E
SCHEMBL8108723 0.70 KIF11 (0.47) MEN1KMT2AMAPTFPR2MAOA
SCHEMBL8113306 0.67 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HPGDNPSR1
SCHEMBL8114850 0.67 HRH2 (0.39) MEN1KMT2AMAPTFPR2ALDH1A1
SCHEMBL8108274 0.66 KIF11 (0.41) MEN1KMT2AMAPTFPR2ALDH1A1
SCHEMBL8099495 0.65 MAPT (0.45) MEN1KMT2AMAPTALDH1A1KDM4E

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
EP-0987253-A1 PYRAZOLONE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2000-03-22 EP disclosed
US-5968967-A INHIBIT PLATELET AGGREGATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-19 US disclosed