SCHEMBL9219845

SCHEMBL9219845

N#Cc1cc[nH]c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.56
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
BRCA1 P38398 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
GSR P00390 1/20 0.38
DGAT1 O75907 1/20 0.38
SOAT1 P35610 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AR P10275 3/20 0.37
KDM5A P29375 1/20 0.36
PTPN5 P54829 2/20 0.36

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
SCHEMBL9339972 0.78 SCN9A (0.43) KIF11ALDH1A1MEN1ALOX15KMT2A
SCHEMBL6561277 0.76 KIF11 (0.49) KIF11ALDH1A1KDM4ECYP11B1CYP11B2
SCHEMBL7784781 0.76 MCL1 (0.49) ALDH1A1KDM4EMEN1ALOX15KMT2A
SCHEMBL9040621 0.76 MAOA (0.47) ALDH1A1KDM4ECYP11B1CYP11B2SMN1; SMN2
SCHEMBL1780240 0.75 MCL1 (0.46) ALDH1A1KDM4ETDP1
SCHEMBL10590924 0.75 KIF11 (0.47) KIF11ALDH1A1CYP11B1CYP11B2GSR
SCHEMBL13731271 0.74 CTSS (0.43) KIF11ALDH1A1HSD17B10SMN1; SMN2AR
SCHEMBL15561185 0.74 PTGDR2 (0.41) KIF11HSD17B10DGAT1SOAT1KCNH2
SCHEMBL13063632 0.72 KIF11 (1.00) KIF11CYP11B2DGAT1SOAT1KCNH2
SCHEMBL3456838 0.72 KIF11 (1.00) KIF11CYP11B2DGAT1SOAT1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5455263-A Administering substituted arylpyrrole compounds AMERICAN CYANAMID COMPANY (US) 1995-10-03 US disclosed
EP-0347488-B1 Arylpyrrole insecticidal acaricidal and nematicidal agents and method for the preparation thereof AMERICAN CYANAMID CO (US) 1994-06-01 EP disclosed
US-5310938-A Miticides, insecticides, parasiticides, and anthelmintics AMERICAN CYANAMID COMPANY (US) 1994-05-10 US disclosed
EP-0312723-B1 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID CO (US) 1993-12-22 EP disclosed
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
US-4857651-A α-(2,3-Di(C1 -C4 alkoxy)ethylamino)-β-cyanostyrene and β-nitrostyrene compounds useful as intermediates in the preparation of insecticidal, acaricidal and nematicidal arylpyrroles and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1989-08-15 US disclosed
EP-0312723-A2 Method of and bait compositions for controlling mollusks AMERICAN CYANAMID COMPANY (US) 1989-04-26 EP disclosed