SCHEMBL8622591

SCHEMBL8622591

N#Cc1ccc(Sc2ccc(C#N)cn2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
CYP19A1 P11511 2/20 0.38
EGLN2 Q96KS0 1/20 0.38
CYP2A6 P11509 1/20 0.36
GRM5 P41594 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HTT P42858 2/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL18795836 0.85 MAOA (0.58) ALDH1A1KDM4EL3MBTL1GAAMAOA
SCHEMBL3041364 0.83 MAOA (0.65) ALDH1A1KDM4EL3MBTL1GAAMAOA
SCHEMBL25772542 0.83 KDM4E (0.42) ALDH1A1KDM4EL3MBTL1GAALMNA
SCHEMBL1145179 0.83 KDM4E (0.42) ALDH1A1KDM4EL3MBTL1GAALMNA
SCHEMBL1145180 0.83 KDM4E (0.46) ALDH1A1KDM4EL3MBTL1GAALMNA
SCHEMBL2959627 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1LMNAMAOA
SCHEMBL10297728 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1GAALMNA
SCHEMBL507088 0.78 KDM4E (0.42) ALDH1A1KDM4EL3MBTL1GAALMNA
SCHEMBL28593053 0.75 EHMT2 (0.59) ALDH1A1KDM4EL3MBTL1GAAMAOA
SCHEMBL10270153 0.75 KIF11 (0.40) ALDH1A1KDM4EL3MBTL1GAALMNA

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
JP-10287653-A None JP disclosed
JP-H10287653-A PRODUCTION OF 2-HALOGENO-5-CYANOPYRIDINE KURARAY CO LTD 1998-10-27 JP disclosed