SCHEMBL6533651

SCHEMBL6533651

CC(N)(Cc1cccs1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.50
CYP2C19 P33261 1/20 0.49
POLB P06746 4/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
EGFR P00533 1/20 0.46
CYP1A2 P05177 1/20 0.46
FYN P06241 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
APEX1 P27695 1/20 0.46
ADRA1A P35348 1/20 0.46
PTGS2 P35354 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL4485884 0.84 RIPK1 (0.50) CYP2C19POLBHPGDALDH1A1TDP1
SCHEMBL28135655 0.84 CYP2C19 (0.50) CYP2C19POLBHPGDALDH1A1TDP1
SCHEMBL28391772 0.83 CYP2C19 (0.46) CYP2C19POLBHPGDALDH1A1TDP1
SCHEMBL27354718 0.81 POLB (0.46) BLMCYP2C19POLBHPGDALDH1A1
SCHEMBL9202262 0.81 POLB (0.46) BLMCYP2C19POLBHPGDALDH1A1
SCHEMBL28013833 0.80 POLB (0.51) CYP2C19POLBHPGDALDH1A1USP2
SCHEMBL28997198 0.79 CYP2C19 (0.53) CYP2C19POLBHPGDALDH1A1TDP1
SCHEMBL28013830 0.79 RIPK1 (0.50) CYP2C19POLBHPGDALDH1A1TDP1
SCHEMBL17009210 0.79 POLB (0.50) CYP2C19POLBHPGDALDH1A1MEN1
SCHEMBL28823525 0.78 CYP2C19 (0.45) CYP2C19POLBHPGDALDH1A1TDP1

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-2005030735-A1 TRIAZINES DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 WO claimed