SCHEMBL7470124

SCHEMBL7470124

Cc1cnc(-c2ccc(C(F)(F)F)s2)nc1Oc1ccnc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPP1CA P62136 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
DRD1 P21728 2/20 0.34
USP1 O94782 1/20 0.33
WDR48 Q8TAF3 1/20 0.33
TGFBR1 P36897 2/20 0.32
PDE10A Q9Y233 2/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
IDO1 P14902 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
SCHEMBL7467948 0.85 PPP1CA (0.33) PPP1CAKMT2ADRD1
SCHEMBL8126833 0.80 ALOX5AP (0.34) ALOX5APFEN1TGFBR1PDE10AGRIN2B
SCHEMBL7467157 0.79 KMT2A (0.46) KMT2ATGFBR1GRIN1GRIN2BALDH1A1
SCHEMBL5211817 0.70 NPSR1 (0.38) KMT2AALDH1A1
SCHEMBL8720836 0.70 KMT2A (0.36) PPP1CAKMT2ADRD1ALDH1A1CYP1A2
SCHEMBL8126836 0.70 BLM (0.38) ALOX5APFEN1TGFBR1AAK1CYP1A2
SCHEMBL5553199 0.70 ALDH1A1 (0.35) PPP1CAKMT2AALOX5APFEN1DRD1
SCHEMBL8118893 0.68 RAB9A (0.33)
SCHEMBL27894825 0.68 LOXL2 (0.50) ALOX5APFEN1TGFBR1CYP2C19IDO1
SCHEMBL7011308 0.67 S1PR1 (0.47) PPP1CAKMT2AALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819690-B1 Herbicidal 6-thienyl and 4-thienyl pyrimidines BASF AG (DE) 2002-10-09 EP claimed
US-5922726-A Herbicidal 6-thienyl pyridines and 4-thienyl pyrimidines AMERICAN CYANAMID COMPANY (US) 1999-07-13 US claimed
EP-0819690-A2 Herbicidal 6-thienyl and 4-thienyl pyrimidines American Cyanamid Company (US) 1998-01-21 EP claimed