SCHEMBL9419907

SCHEMBL9419907

Fc1ccc(C#Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.48
GRM5 P41594 3/20 0.45
PAX8 Q06710 1/20 0.43
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL14998069 0.90 KIF11 (0.56) KIF11ALDH1A1TSHRCES2CES1
SCHEMBL16747679 0.90 KIF11 (0.56) KIF11ALDH1A1TSHRCES2CES1
SCHEMBL168026 0.84 ALDH1A1 (0.53) KIF11PAX8CYP1A1CYP1B1ALDH1A1
SCHEMBL10300106 0.82 GRM5 (0.50) GRM5FFAR1
SCHEMBL7717366 0.82 GRM5 (0.50) GRM5FFAR1
SCHEMBL718949 0.82 GRM5 (0.50) GRM5FFAR1
SCHEMBL2830955 0.81 ALDH1A1 (0.59) KIF11GRM5FFAR1ALDH1A1TSHR
SCHEMBL7699654 0.80 KIF11 (0.52) KIF11ALDH1A1TSHRCES2CES1
Chloromethane SCHEMBL27654425 0.79 PAX8 (0.48) KIF11PAX8CYP1A1CYP1B1ALDH1A1
SCHEMBL10300108 0.79 KIF11 (0.47) KIF11GRM5CYP1A1CYP1B1FFAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5288727-A Hydrazone compounds, processes for their production, intermediates useful for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA LTD. (JP) 1994-02-22 US disclosed
EP-0500111-A2 Hydrazone compounds, processes for their production, intermediates useful for their production and pesticidal compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-08-26 EP disclosed