SCHEMBL3787010

SCHEMBL3787010

Cc1ccccc1C(=O)NC#N

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 1/20 0.49
TYK2 P29597 1/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
DHODH Q02127 1/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL11654047 1.00 HPGD (0.55) HPGDSMN1; SMN2POLBTYK2NPC1
SCHEMBL11044094 0.86 KMT2A (0.46) SMN1; SMN2POLBGAAALDH1A1
SCHEMBL27021670 0.78 KCNK3 (0.46) GAAKCNK3KCNK9ALDH1A1
SCHEMBL10611437 0.78 HPGD (0.60) HPGDSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL2650229 0.77 POLB (0.72) HPGDSMN1; SMN2POLBTYK2NPC1
SCHEMBL3140037 0.77 HPGD (0.64) HPGDSMN1; SMN2POLBTYK2NPC1
SCHEMBL959391 0.77 ALDH1A1 (0.48) HPGDSMN1; SMN2POLBNPC1RAB9A
SCHEMBL12503761 0.77 KDM4E (0.45) HPGDSMN1; SMN2POLBNPC1RAB9A
SCHEMBL20524406 0.77 POLB (0.62) HPGDPOLBTYK2NPC1RAB9A
SCHEMBL17099930 0.77 GAA (0.58) HPGDSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3113618-B1 HETEROCYCLIC COMPOUNDS AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2018-07-04 EP disclosed
EP-3113618-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-01-11 EP disclosed
WO-2015132313-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2015-09-11 WO disclosed
EP-2384322-B1 PYRIMIDINE DERIVATIVES AND USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2014-08-27 EP disclosed
EP-2206703-A1 Pyrimidine derivatives and use thereof for combating undesired plant growth Bayer CropScience AG (DE) 2010-07-14 EP disclosed