SCHEMBL9712685

SCHEMBL9712685

Cc1cc(C=O)cc(C)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
CYP2A6 P11509 1/20 0.36
ALDH1A3 P47895 2/20 0.35
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL24264683 0.88 KIF11 (0.39) SRCCYP2A6ALDH1A3KIF11ALDH1A1
SCHEMBL19449779 0.83 SRC (0.34) SRCKIF11
SCHEMBL19449780 0.79 SRC (0.32) SRC
SCHEMBL18723235 0.77 TP53 (0.35) ALDH1A1
SCHEMBL816357 0.74 KIF11 (0.44) KIF11
SCHEMBL26760559 0.74 KIF11 (0.44) KIF11ALDH1A1
SCHEMBL27977385 0.74 KIF11 (0.38) SRCCYP2A6ALDH1A3KIF11ALDH1A1
SCHEMBL27233537 0.74 SRC (0.40) SRCKIF11
SCHEMBL493981 0.73 SRC (0.45) SRCCYP2A6ALDH1A3ALDH1A1
SCHEMBL14328127 0.73 SRC (0.36) SRC

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-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed