SCHEMBL11765477

SCHEMBL11765477

CCCc1nsc(N)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 7/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 4/20 0.35
HSD17B10 Q99714 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 4/20 0.34
BCAT2 O15382 1/20 0.32
GAA P10253 2/20 0.31
NPY1R P25929 1/20 0.30
HTT P42858 1/20 0.30
NPY2R P49146 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL11203981 0.89 ALDH1A1 (0.40) MAPK1RECQLALDH1A1MAPTMEN1
SCHEMBL11203252 0.85 GAA (0.38) MAPK1RECQLALDH1A1MAPTMEN1
SCHEMBL9350181 0.81 ADORA2A (0.43) MAPK1RECQLALDH1A1MAPTMEN1
SCHEMBL11716067 0.70 MAPK8 (0.42) MAPK1RECQLALDH1A1MAPTMEN1
SCHEMBL11610490 0.70 MAPK8 (0.35) MAPK1RECQLALDH1A1MAPTMEN1
SCHEMBL11608450 0.70 KDM4E (0.49) MAPK1RECQLALDH1A1MAPTMEN1
SCHEMBL164493 0.70
SCHEMBL11765884 0.69 ALDH1A1 (0.33) MAPK1RECQLALDH1A1
SCHEMBL9013559 0.69 ALDH1A1 (0.40) RECQLALDH1A1MAPTMEN1KMT2A
SCHEMBL11750122 0.69 ALDH1A1 (0.50) MAPK1ALDH1A1MAPTMEN1KMT2A

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
US-4032322-A ISOTHIAZOLYLFORMAMIDINE DERIVATIVES AS HERBICIDES GIBBONS LOREN KENNETH 1977-06-28 US disclosed