SCHEMBL20876262

SCHEMBL20876262

CNC(=O)c1cc(C(=O)OC)cc(C=Cc2ccccc2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTPN1 P18031 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
ACLY P53396 1/20 0.40
SNCA P37840 2/20 0.39
HDAC1 Q13547 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 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
SCHEMBL7035796 0.83 LMNA (0.56) CYP1A2CYP2C19HSD17B10PTPN1RAB9A
SCHEMBL7035797 0.83 LMNA (0.56) CYP1A2CYP2C19HSD17B10PTPN1RAB9A
SCHEMBL20876261 0.75 TSHR (0.47) HSD17B10PTPN1RAB9ANPC1POLB
SCHEMBL7706013 0.74 HSD17B10 (0.52) CYP1A2CYP2C19HSD17B10PTPN1RAB9A
SCHEMBL31317684 0.73 PTPN1 (0.49) CYP1A2CYP2C19HSD17B10PTPN1RAB9A
SCHEMBL31014147 0.73 PTPN1 (0.56) CYP1A2CYP2C19HSD17B10PTPN1RAB9A
SCHEMBL31014140 0.73 PTPN1 (0.56) CYP1A2CYP2C19HSD17B10PTPN1RAB9A
SCHEMBL9729072 0.73 TNFRSF1A (0.59) CYP1A2CYP2C19HSD17B10POLBLMNA
(Z)-1,2-Diphenylethene SCHEMBL1604067 0.73 TSHR (0.76) CYP1A2CYP2C19HSD17B10PTPN1RAB9A
(Z)-1,2-Diphenylethene SCHEMBL1604066 0.73 TSHR (0.76) CYP1A2CYP2C19HSD17B10PTPN1RAB9A

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-3692026-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2020-08-12 EP disclosed
WO-2019068783-A1 BENZOFURAN DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-04-11 WO disclosed