SCHEMBL8942532

SCHEMBL8942532

N#Cc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.60
HTT P42858 3/20 0.60
HPGD P15428 3/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
XBP1 P17861 2/20 0.55
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
FFAR1 O14842 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
LIPE Q05469 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL11360493 0.89 SMN1; SMN2 (0.71) LMNAHTTHPGDSMN1; SMN2RAB9A
SCHEMBL11459158 0.84 SMN1; SMN2 (0.66) LMNAHTTHPGDSMN1; SMN2RAB9A
SCHEMBL8303783 0.84 RAB9A (0.52) LMNAHTTHPGDSMN1; SMN2RAB9A
SCHEMBL8304598 0.84 CYP1A2 (0.56) LMNAHTTHPGDSMN1; SMN2RAB9A
SCHEMBL9790809 0.83 LMNA (0.67) LMNAHTTHPGDSMN1; SMN2RAB9A
SCHEMBL8299363 0.82 CYP1A2 (0.50) LMNAHTTHPGDSMN1; SMN2RAB9A
SCHEMBL8301624 0.82 CYP1A2 (0.54) LMNAHPGDSMN1; SMN2RAB9AALDH1A1
SCHEMBL11196331 0.82 SMN1; SMN2 (0.67) LMNAHTTHPGDSMN1; SMN2RAB9A
SCHEMBL5687596 0.82 RAB9A (0.73) LMNAHTTHPGDSMN1; SMN2RAB9A
SCHEMBL2711491 0.82 SMN1; SMN2 (0.65) LMNAHTTHPGDSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572142-B1 Novel 3,5-diphenyl substituted 1,2,4-triazoles and their use as insecticides and acaricides KUMIAI CHEMICAL INDUSTRY CO (JP) 1996-07-31 EP disclosed
US-5482951-A Triazole derivatives as well as insecticide and acaricide KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-01-09 US disclosed
US-5318959-A A new miticides diaryl alkyl 1,2,4-triazoles KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-06-07 US disclosed
EP-0572142-A2 Novel 3,5-diphenyl substituted 1,2,4-triazoles and their use as insecticides and acaricides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-12-01 EP disclosed