SCHEMBL15935637

SCHEMBL15935637

CCc1cc(OC)ccc1CC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.40
APLNR P35414 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 2/20 0.39
ADRA1A P35348 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTR2A P28223 2/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL11474043 0.91 APLNR (0.43) PKMHSD17B10APLNRPOLBMEN1
SCHEMBL12431134 0.82 HSD17B10 (0.48) HSD17B10APLNRPOLBIDO1ADRA1A
SCHEMBL11825653 0.80 IDO1 (0.56) HSD17B10APLNRIDO1ADRA1ATAAR1
SCHEMBL30861233 0.80 IDO1 (0.56) HSD17B10APLNRIDO1ADRA1ATAAR1
SCHEMBL1237862 0.80 TSHR (0.41) PKMHSD17B10APLNRPOLBMEN1
SCHEMBL29175430 0.80 APLNR (0.41) PKMHSD17B10APLNRPOLBMEN1
SCHEMBL16480388 0.80 HSD17B10 (0.41) PKMHSD17B10APLNRPOLBMEN1
SCHEMBL1237860 0.80 APLNR (0.58) APLNRMAPTIDO1ADRA1ATAAR1
SCHEMBL622035 0.79 CHRM2 (0.47) PKMMEN1LMNAMAPTKMT2A
SCHEMBL1488919 0.79 NPC1 (0.43) HSD17B10APLNRPOLBMEN1NPC1

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
WO-2014119770-A1 PYRIDAZINONE COMPOUND AND HERBICIDE COMPRISING SAME 住友化学株式会社 (JP) 2014-08-07 WO disclosed