SCHEMBL8679063

SCHEMBL8679063

CC#CC(OCCCCC)n1nc(-c2ccc(Cl)cc2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
ENPP2 Q13822 1/20 0.36
MAPT P10636 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HDAC1 Q13547 1/20 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
SCHEMBL8675227 0.70 TSHR (0.47) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL5497540 0.66 MEN1 (0.47) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL23297291 0.66 POLB (0.53) TSHRKDM4EPOLBHDAC1
SCHEMBL23297292 0.66 POLB (0.53) TSHRKDM4EPOLBHDAC1
SCHEMBL5497539 0.65 MEN1 (0.54) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL5493680 0.62 TSHR (0.46) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL11144982 0.62 HRH3 (0.54) MEN1KMT2ATSHRKDM4EMAPT
SCHEMBL5493675 0.61 TSHR (0.56) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL23297358 0.61 MAPT (0.55) MEN1KMT2ATSHRKDM4EALDH1A1
SCHEMBL26363439 0.61 POLB (0.43) MEN1KMT2ATSHRKDM4EALDH1A1

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-5741793-A PYRIDAZINONE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1998-04-21 US disclosed