SCHEMBL4060577

SCHEMBL4060577

CC1(c2cc(O)ccc2O)OO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENTPD5 O75356 2/20 0.40
ALOX15 P16050 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NR1I2 O75469 1/20 0.39
MIF P14174 1/20 0.39
TYR P14679 1/20 0.39
HTT P42858 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
PPP1CA P62136 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL10067697 0.72 ENTPD5 (0.53) ENTPD5OPRM1OPRK1OPRD1SIGMAR1
SCHEMBL10899122 0.71 RARB (0.50) ENTPD5OPRM1OPRK1OPRD1
SCHEMBL6248845 0.67 PDE4D (0.42) ENTPD5ALOX15ALDH1A1LMNACYP2C9
SCHEMBL30701838 0.67 RXRA (0.49) ALDH1A1LMNATP53CYP3A4CYP1A2
SCHEMBL7211111 0.67 CYP3A4 (0.44) ALOX15ALDH1A1LMNACYP2C9HSD17B10
SCHEMBL1360287 0.67 RXRA (0.49) ALDH1A1LMNATP53CYP3A4CYP1A2
SCHEMBL29911088 0.67 CYP3A4 (0.44) ALOX15ALDH1A1LMNACYP2C9HSD17B10
SCHEMBL2123476 0.65 PDK2 (0.46) ALDH1A1MAOBOPRM1OPRK1KDM4E
SCHEMBL30956355 0.65 PDK2 (0.46) ALDH1A1MAOBOPRM1OPRK1KDM4E
SCHEMBL13625257 0.65 TP53 (0.44) ALDH1A1LMNAMAOBMAPTTP53

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-1971601-B1 N4-PHENYL-QUINAZOLINE-4 -AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA INC (US) 2009-10-21 EP disclosed