SCHEMBL21022306

SCHEMBL21022306

C=C(c1cc(N)ccc1F)N(C)c1ccc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.35
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PIK3C3 Q8NEB9 3/20 0.33
PIK3CA P42336 1/20 0.33
DHFR P00374 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
HTT P42858 1/20 0.32
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 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
SCHEMBL18147488 0.84 MAPT (0.44) CES2CES1MAPTPIK3C3PIK3CA
SCHEMBL20076473 0.84 KDM4E (0.35) HRH4MAPTALDH1A1PIK3C3PIK3CA
SCHEMBL21021746 0.84 CES2 (0.33) CES2CES1MAPTALDH1A1DHFR
SCHEMBL21022031 0.81 HSD17B1 (0.38) HRH4ALDH1A1
SCHEMBL21021731 0.80 SLC6A2 (0.35) CES2CES1PIK3CADHFR
SCHEMBL21021797 0.78 L3MBTL1 (0.34) MAPTALDH1A1CA9
SCHEMBL18147495 0.75 PIK3C3 (0.43) CES2CES1MAPTALDH1A1PIK3C3
SCHEMBL21021848 0.73 CASP1 (0.36) MAPTALDH1A1
SCHEMBL21019705 0.72 MAOA (0.34)
SCHEMBL30739618 0.72 PIK3C3 (0.39) MAPTALDH1A1PIK3C3PIK3CAHTT

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed