SCHEMBL21495048

SCHEMBL21495048

Cc1ccc([C@@H](Br)C=O)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DAO P14920 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL6865647 1.00 ALOX5 (0.40) ALOX5ALDH1A1HPGDKMT2ALMNA
SCHEMBL1811728 0.78
SCHEMBL7564954 0.78
SCHEMBL193502 0.77 CES2 (0.35) ALDH1A1HPGDKMT2ALMNADAO
SCHEMBL21495021 0.77 CES2 (0.35) ALDH1A1HPGDKMT2ALMNADAO
SCHEMBL9372675 0.75 ALOX5 (0.43) ALOX5ALDH1A1HPGDKMT2ALMNA
SCHEMBL1849742 0.75 GABBR2 (0.39) DAOTOP2ATOP2B
SCHEMBL5319115 0.75 DAO (0.33) DAO
Hydrochloric Acid SCHEMBL10716985 0.73 ALOX5 (0.42) ALOX5ALDH1A1HPGDKMT2ALMNA
SCHEMBL28808975 0.71

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
WO-2019201865-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed