SCHEMBL11207779

SCHEMBL11207779

COc1cc2nc(C)c(C)nc2cc1OCCS

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.43
PGK1 P00558 5/20 0.42
EHMT2 Q96KQ7 3/20 0.41
EHMT1 Q9H9B1 3/20 0.41
ENPP1 P22413 1/20 0.40
PDPK1 O15530 4/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SPIN1 Q9Y657 1/20 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
SCHEMBL346704 0.81 NQO2 (0.60) NQO2PGK1PDPK1PDGFRBPDGFRA
SCHEMBL11207618 0.78 NQO2 (0.39) NQO2PGK1EHMT2EHMT1ENPP1
SCHEMBL11203741 0.76 ENPP1 (0.38) NQO2PGK1EHMT2EHMT1ENPP1
SCHEMBL11203601 0.72 POLB (0.47) NQO2PGK1PDPK1ALDH1A1GAA
SCHEMBL11207512 0.71 NQO2 (0.52) NQO2PGK1PDGFRBPDGFRAALDH1A1
SCHEMBL891041 0.70 INPPL1 (0.41) HDAC6
SCHEMBL11202172 0.69 PDE4A (0.47) NQO2PGK1PDGFRBPDGFRAPDE10A
SCHEMBL21676219 0.69 PGK1 (0.51) NQO2PGK1ENPP1PDPK1ALDH1A1
SCHEMBL650718 0.68 NQO2 (0.50) NQO2PGK1PDGFRBPDGFRAPDE10A
SCHEMBL11205485 0.68 NQO2 (0.45) NQO2PGK1ALDH1A1KDM4EGLA

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
EP-0014688-B1 PROCESS FOR THE TREATMENT OF SILVER DYE-BLEACHING MATERIALS, AQUEOUS PREPARATION THEREFOR, CONCENTRATE AND PROCESS FOR MAKING THE PREPARATION CIBA-GEIGY AG (CH) 1983-03-23 EP claimed