SCHEMBL2770653

SCHEMBL2770653

Nc1ccc(-c2ccc(N)c(CCO)c2)cc1CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.44
HSD17B10 Q99714 4/20 0.44
ALOX15 P16050 2/20 0.44
KMT2A Q03164 5/20 0.44
TDP1 Q9NUW8 4/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GFER P55789 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPK1 P28482 2/20 0.38
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAP4K4 O95819 1/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7496853 0.84 PGR (0.55) ALDH1A1ESR2MAP4K4PGR
SCHEMBL7493059 0.84 TAAR1 (0.51) CYP3A4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL33767 0.82 PRKCI (0.38) CYP3A4HSD17B10ALOX15KMT2ATDP1
SCHEMBL29378444 0.82 PRKCI (0.38) CYP3A4HSD17B10ALOX15KMT2ATDP1
Hydrochloric Acid SCHEMBL5200042 0.80 THRB (0.41) CYP3A4HSD17B10ALOX15KMT2ATDP1
SCHEMBL5898768 0.80 HTR2C (0.46) CYP3A4HSD17B10ALOX15KMT2ATDP1
Bromide SCHEMBL18979874 0.80 PRKCI (0.37) CYP3A4HSD17B10ALOX15KMT2ATDP1
Hydrochloric Acid SCHEMBL7162451 0.80 THRB (0.41) CYP3A4HSD17B10ALOX15KMT2ATDP1
Water SCHEMBL28619662 0.80 PRKCI (0.37) CYP3A4HSD17B10ALOX15KMT2ATDP1
Hydrochloric Acid SCHEMBL29836023 0.80 THRB (0.41) CYP3A4HSD17B10ALOX15KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100323217-A1 MATERIAL FOR AN ELECTRICAL/ELECTRONIC PART AND ELECTRICAL/ELECTRONIC PART THE FURUKAWA ELECTRIC CO., LTD. (JP) 2010-12-23 US disclosed
EP-2248663-A1 MATERIAL FOR ELECTRICAL/ELECTRONIC COMPONENT AND ELECTRICAL/ELECTRONIC COMPONENT The Furukawa Electric Co., Ltd. (JP) 2010-11-10 EP disclosed
EP-0977209-B1 INSULATED WIRE FURUKAWA ELECTRIC CO LTD (JP) 2006-07-12 EP disclosed
US-6436537-B1 INSULATED WIRES WITH POLYAMIDEIMIDE COPOLYMERS THE FURUKAWA ELECTRIC CO., LTD. (JP) 2002-08-20 US disclosed
EP-0977209-A1 INSULATED WIRE THE FURUKAWA ELECTRIC CO., LTD. (JP) 2000-02-02 EP disclosed