SCHEMBL7987262

SCHEMBL7987262

COc1cc2c3ccc(OC)c(OC)c3n(C(=O)c3ccccc3)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.50
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PRKACA P17612 3/20 0.44
PRKACG P22612 3/20 0.44
PRKACB P22694 3/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.39
CYP19A1 P11511 1/20 0.39
NQO2 P16083 1/20 0.39
LMNA P02545 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL7988065 0.93 SRC (0.54) SRCCYP1A2ALDH1A1PRKACAPRKACG
SCHEMBL7971057 0.88 SRC (0.52) SRCALDH1A1PRKACAPRKACGPRKACB
SCHEMBL7983836 0.87 SRC (0.55) SRCALDH1A1PRKACAPRKACGPRKACB
SCHEMBL7981595 0.87 SRC (0.55) SRCPRKACAPRKACGPRKACBNPC1
SCHEMBL7981392 0.85 SRC (0.61) SRCCYP1A2ALDH1A1NPC1RAB9A
SCHEMBL7970249 0.85 SRC (0.57) SRCPRKACAPRKACGPRKACBLMNA
SCHEMBL7983604 0.84 SRC (0.58) SRCALDH1A1PRKACAPRKACGPRKACB
SCHEMBL7981518 0.80 P2RX4 (0.56) SRCCYP1A2ALDH1A1MAPTLMNA
SCHEMBL7970472 0.80 SRC (0.55) SRCALDH1A1PRKACAPRKACGPRKACB
SCHEMBL7970608 0.72 SRC (0.50) SRCALDH1A1MAPTCYP19A1NQO2

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
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed