SCHEMBL28428884

SCHEMBL28428884

N#CSc1cc(Br)c(N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
USP8 P40818 1/20 0.41
USP5 P45974 1/20 0.41
USP4 Q13107 1/20 0.41
USP7 Q93009 1/20 0.41
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 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
SCHEMBL11374071 0.84 USP2 (0.47) USP2USP8USP5USP4USP7
SCHEMBL10413718 0.82 USP2 (0.50) USP2USP8USP5USP4USP7
SCHEMBL10414207 0.82 USP2 (0.45) USP2USP8USP5USP4USP7
SCHEMBL11373307 0.72 USP2 (0.47) USP2USP8USP5USP4USP7
SCHEMBL2780833 0.71 TRPV4 (0.45) ALDH1A1POLBMAPT
SCHEMBL2536617 0.70 ALDH1A1 (0.41) ALDH1A1POLBMAPT
SCHEMBL6099368 0.69 USP2 (0.44) USP2USP8USP5USP4USP7
SCHEMBL23885388 0.68 ALDH1A1 (0.40) ALDH1A1POLBMAPT
SCHEMBL350192 0.68 ALDH1A1 (0.40) ALDH1A1POLBMAPT
SCHEMBL11173991 0.68 USP2 (0.56) USP2USP8USP5USP4USP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111454185-B Method for inducing thiocyanide of arylamine compound by visible light 海南热带海洋学院 2021-09-28 CN disclosed
CN-111454185-A Method for inducing thiocyanide of arylamine compound by visible light 海南热带海洋学院 2020-07-28 CN disclosed