SCHEMBL9190096

SCHEMBL9190096

N#CCc1c(Cl)c(Cl)cc2[nH]c(C(F)(F)F)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.41
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PARP1 P09874 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL9865737 0.78 RHEB (0.47) ARHSD17B10HTTDRD2DRD4
SCHEMBL11684204 0.69 KDM4E (0.42) ARHSD17B10HTTDRD2DRD4
SCHEMBL8855505 0.69 GRIN2D (0.47) HSD17B10HTTMAPTPOLBTDP1
SCHEMBL8183601 0.68 HTT (0.56) HSD17B10HTTDRD2DRD4DRD3
SCHEMBL2429554 0.66 MAPT (0.44) ARHSD17B10HTTDRD2DRD4
SCHEMBL133292 0.65 MAPT (0.50) HSD17B10HTTDRD2DRD4DRD3
SCHEMBL5987289 0.65 AR (0.62) ARHSD17B10HTTMAPTPOLB
SCHEMBL19065022 0.63 HTT (0.53) HSD17B10HTTDRD2DRD4DRD3
SCHEMBL11683069 0.62 HSD17B10 (0.60) ARHSD17B10HTTMAPTPOLB
SCHEMBL9504942 0.62 MEN1 (0.63) HSD17B10HTTDRD2DRD4DRD3

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-0667863-A1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 EP claimed
EP-0667863-A1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 EP disclosed