SCHEMBL20076473

SCHEMBL20076473

C=C(c1cc(N)ccc1C#N)N(C)c1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
GFER P55789 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
AR P10275 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
PIK3C3 Q8NEB9 1/20 0.30
PIK3CA P42336 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
SCHEMBL20045594 0.86 PIK3C3 (0.39) KDM4EUSP2ALDH1A1MAPTLMNA
SCHEMBL30739618 0.86 PIK3C3 (0.39) KDM4EUSP2ALDH1A1MAPTLMNA
SCHEMBL21022306 0.84 HRH4 (0.35) ALDH1A1MAPTHRH4PIK3C3PIK3CA
SCHEMBL21022031 0.72 HSD17B1 (0.38) ALDH1A1HRH4
SCHEMBL18147488 0.72 MAPT (0.44) MAPTPIK3C3PIK3CA
SCHEMBL20076652 0.71 TSHR (0.31) KDM4EMAPTLMNAGFER
SCHEMBL22401233 0.70 KDM4E (0.49) KDM4EUSP2ALDH1A1MAPTLMNA
SCHEMBL18146167 0.70 GPBAR1 (0.37) KDM4EALDH1A1MAPTLMNAGFER
SCHEMBL21021265 0.69 LMNA (0.42) KDM4EUSP2ALDH1A1MAPTLMNA
SCHEMBL18147495 0.69 PIK3C3 (0.43) ALDH1A1MAPTLMNAPIK3C3PIK3CA

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed