SCHEMBL9015136

SCHEMBL9015136

ClC(=Cc1ccccc1)[n+]1ccccc1.F[B-](F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.38
KDM1A O60341 2/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
AKR1C3 P42330 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
AKR1C1 Q04828 1/20 0.32
ESR1 P03372 1/20 0.32
TP53 P04637 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
SCHEMBL8625481 0.71 TSHR (0.40) FBP1KDM1ASMN1; SMN2ALDH1A1TSHR
SCHEMBL4666032 0.68 MCL1 (0.40) FBP1KDM1AALDH1A1TSHRAKR1C3
SCHEMBL11073623 0.66 FBP1 (0.48) FBP1KDM1ANPC1RAB9AMAPT
SCHEMBL17836924 0.66 FBP1 (0.48) FBP1KDM1ANPC1RAB9AMAPT
SCHEMBL9245051 0.66 FBP1 (0.48) FBP1KDM1ANPC1RAB9AMAPT
SCHEMBL9508726 0.65 ALDH1A1 (0.39) FBP1KDM1AALDH1A1TSHRAKR1C3
SCHEMBL1377680 0.65 ALDH1A1 (0.48) FBP1ALDH1A1TSHRAKR1C3AKR1C1
SCHEMBL40189 0.65 FBP1 (0.52) FBP1KDM1ANPC1RAB9AMAPT
SCHEMBL6438925 0.65 FBP1 (0.52) FBP1KDM1ANPC1RAB9AMAPT
SCHEMBL7184139 0.65 FBP1 (0.52) FBP1KDM1ANPC1RAB9AMAPT

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-0487870-B1 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID CO (US) 1996-12-18 EP disclosed
US-5233052-A Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5180734-A INSECTICIDAL AND ACARICIDAL DIARYLPYRROLECARBONITRILE AND DIARYLNITROPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1993-01-19 US disclosed
EP-0487870-A2 Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1992-06-03 EP disclosed