SCHEMBL9147683

SCHEMBL9147683

N#Cc1c(Br)c(C(F)(F)F)n(CSc2ncc[nH]2)c1-c1ccc(Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
LDHA P00338 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
Bromide SCHEMBL9399870 0.99 POLB (0.34) POLBMAPTADORA3ADORA2AADORA2B
SCHEMBL9057679 0.78 HTT (0.36) POLBMAPTRXFP1HPGDKDM4E
SCHEMBL9460941 0.77 POLB (0.36) POLBMAPTRXFP1HPGDKDM4E
SCHEMBL7508068 0.77 KDM4E (0.37) POLBMAPTRXFP1HPGDKDM4E
SCHEMBL7499361 0.77 KDM4E (0.37) POLBMAPTRXFP1HPGDKDM4E
SCHEMBL9279148 0.75 POLB (0.34) POLBMAPTRXFP1HPGDKDM4E
SCHEMBL8994487 0.73 POLB (0.36) POLBMAPTRXFP1HPGDKDM4E
SCHEMBL5819212 0.73 KDM4E (0.34) POLBMAPTRXFP1HPGDKDM4E
SCHEMBL19283443 0.72 CYP1A2 (0.34) POLBMAPTHPGDKDM4EMEN1
Chlorfenapyr SCHEMBL28508419 0.72 RXFP1 (0.36) POLBMAPTRXFP1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378839-A Insecticidal, acaricidal and molluscicidal 1-(subsituted)thioalkylpyrroles AMERICAN CYANAMID COMPANY (US) 1995-01-03 US disclosed