SCHEMBL7825820

SCHEMBL7825820

COc1cc(C=Nc2c(SC(F)(F)F)c(C#N)nn2-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
GABRP O00591 11/20 0.38
GABRD O14764 11/20 0.38
GABRA1 P14867 11/20 0.38
GABRB1 P18505 11/20 0.38
GABRG2 P18507 11/20 0.38
GABRB3 P28472 11/20 0.38
GABRA5 P31644 11/20 0.38
GABRA3 P34903 11/20 0.38
GABRA2 P47869 11/20 0.38
GABRB2 P47870 11/20 0.38
GABRA4 P48169 11/20 0.38
GABRE P78334 11/20 0.38
GABRA6 Q16445 11/20 0.38
GABRG1 Q8N1C3 11/20 0.38
GABRG3 Q99928 11/20 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
SCHEMBL6055915 0.92 MAPT (0.42) LMNAHPGDKDM4EMAPTTP53
SCHEMBL4202649 0.88 CA12 (0.41) LMNAHPGDKDM4EMAPTGABRP
SCHEMBL27462 0.88 CA12 (0.41) LMNAHPGDKDM4EMAPTGABRP
Hydrochloric Acid SCHEMBL1734541 0.88 CA12 (0.40) LMNAHPGDKDM4EMAPTGABRP
SCHEMBL6055900 0.87 GABRP (0.37) LMNAHPGDKDM4EMAPTGABRP
SCHEMBL6055908 0.85 GABRB3 (0.40) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL7819225 0.83 GABRP (0.41) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL6055777 0.83 CA12 (0.40) LMNAHPGDKDM4EMAPTGABRP
SCHEMBL6055828 0.82 GABRP (0.41) LMNAKDM4EMAPTGABRPGABRD
SCHEMBL6055715 0.81 GAA (0.42) LMNAHPGDKDM4EMAPTGABRP

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-5236938-A Pesticidal 1-aryl-5-(substituted alkylideneimino)pyrazoles RHONE-POULENC INC. (US) 1993-08-17 US claimed
EP-0511845-B1 Pesticidal 1-aryl-5-(substituted alkylideneimino)-pyrazoles AVENTIS CROPSCIENCE SA (FR) 2001-10-31 EP disclosed