SCHEMBL9529172

SCHEMBL9529172

CSc1cc(-c2ccc(F)cc2F)nn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.39
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
KMO O15229 2/20 0.36
ALPL P05186 2/20 0.36
GRM5 P41594 3/20 0.36
PDE10A Q9Y233 1/20 0.36
PDK2 Q15119 1/20 0.35
DPP4 P27487 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9529749 0.88 GRM5 (0.33) F2RL3TP53GRM5
SCHEMBL7508249 0.85 KMO (0.39) KMO
SCHEMBL9530449 0.82 RXFP1 (0.40) KDM4EPOLB
SCHEMBL15814002 0.79 F2RL3 (0.42) F2RL3TP53MDM2KMOALPL
SCHEMBL3800985 0.75 F2RL3 (0.39) F2RL3TP53MDM2KMOALPL
SCHEMBL6913488 0.75 ALDH1A1 (0.42) F2RL3KMOALPLGRM5PDE10A
SCHEMBL8440309 0.74 TRPV4 (0.36)
SCHEMBL26111723 0.71 SCN4A (0.47) F2RL3TP53MDM2KMOALPL
SCHEMBL2344409 0.71 PDE7A (0.38) F2RL3GRM5PDE10AGABRG2GABRB3
SCHEMBL5050417 0.69 F2RL3 (0.42) F2RL3TP53MDM2KMOALPL

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
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO disclosed