SCHEMBL5682249

SCHEMBL5682249

COc1cc2ccc(-c3nc(C(=O)c4c[nH]c(-c5ccc6cc(OC)c(OC)cc6c5)n4)c[nH]3)cc2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 8/20 0.46
PDGFRA P16234 7/20 0.46
RAC1 P63000 2/20 0.39
HSD17B1 P14061 1/20 0.39
AMY1A P0DUB6 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MPI P34949 1/20 0.38
GFER P55789 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PARP1 P09874 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL726093 0.78 EGFR (0.51)
SCHEMBL771455 0.77 AAK1 (0.53) AMY1AALDH1A1AAK1NPC1RAB9A
SCHEMBL723931 0.76 TUBB1 (0.57) PDGFRB
SCHEMBL7416517 0.74 PARP1 (0.56) KDM4EALDH1A1GAAMPIGFER
SCHEMBL724076 0.74 CYP1A2 (0.51) KDM4EALDH1A1GAAAAK1HSD17B10
SCHEMBL17449550 0.74 TUBB4A (0.40) PDGFRBPDGFRAALDH1A1PARP1HSD17B10
SCHEMBL4427854 0.74 EGFR (0.68)
SCHEMBL1683679 0.74 EGFR (0.57)
SCHEMBL31247308 0.74 EGFR (0.68)
SCHEMBL4429058 0.73 GRK6 (0.52) AMY1AKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227085-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR TAKEDA PHARMACEUTICAL (JP) 2006-03-15 EP disclosed
EP-1227085-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR Takeda Chemical Industries, Ltd. (JP) 2002-07-31 EP disclosed