SCHEMBL9840681

SCHEMBL9840681

N#Cc1c(C(F)(F)F)[nH]c(C(F)(F)F)c1-c1ccc(OC(F)(F)C(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
GLA P06280 5/20 0.38
MAPT P10636 5/20 0.38
TRPV1 Q8NER1 3/20 0.38
ADORA1 P30542 1/20 0.34
ALDH1A1 P00352 7/20 0.33
GAA P10253 5/20 0.33
KMT2A Q03164 3/20 0.33
HTT P42858 2/20 0.33
PIM1 P11309 1/20 0.33
HPGD P15428 4/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
ATM Q13315 1/20 0.33
NRP1 O14786 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL9015109 0.85 ALDH1A1 (0.41) KDM4EGLAMAPTTRPV1ADORA1
SCHEMBL9840686 0.83 MAPT (0.35) KDM4EGLAMAPTADORA1ALDH1A1
SCHEMBL9446496 0.80 IDO1 (0.37) KDM4EGLAMAPTTRPV1ALDH1A1
SCHEMBL1907911 0.68 ALDH1A1 (0.48) KDM4EMAPTTRPV1ALDH1A1HTT
SCHEMBL9840597 0.67 KDM4E (0.46) KDM4EGLAMAPTADORA1ALDH1A1
SCHEMBL9015062 0.67 KDM4E (0.48) KDM4EGLAMAPTALDH1A1GAA
SCHEMBL9393467 0.66 KDM4E (0.34) KDM4EGLAMAPTPIM1DHODH
SCHEMBL9389298 0.65 KDM4E (0.34) KDM4EGLAMAPTADORA1ALDH1A1
SCHEMBL7980644 0.64 KIF11 (0.45) TRPV1ALDH1A1GAA
SCHEMBL9840859 0.63 TRPV1 (0.32) TRPV1

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
US-5010098-A Arylpyrrole insecticidal acaricidal and nematicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-04-23 US disclosed
US-4929634-A ARYLPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1990-05-29 US disclosed
EP-0347488-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-12-27 EP disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed