SCHEMBL4044608

SCHEMBL4044608

CC(N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
TSHR P16473 3/20 0.48
BLM P54132 2/20 0.48
RECQL P46063 2/20 0.48
HSD17B10 Q99714 2/20 0.48
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
F12 P00748 1/20 0.48
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
PKM P14618 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
PARP1 P09874 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
PMP22 Q01453 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.47

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
SCHEMBL28201581 0.85 ESR1 (0.38) ESR1TSHRBLMRECQLHSD17B10
SCHEMBL7820108 0.78 ESR1 (0.48) ESR1TSHRBLMRECQLHSD17B10
SCHEMBL5084038 0.78 ESR1 (0.48) ESR1TSHRBLMRECQLHSD17B10
SCHEMBL11202321 0.78 BLM (0.55) ESR1TSHRBLMRECQLHSD17B10
SCHEMBL11202324 0.78 BLM (0.55) ESR1TSHRBLMRECQLHSD17B10
SCHEMBL9250790 0.78 BLM (0.48) ESR1TSHRBLMRECQLHSD17B10
SCHEMBL12262965 0.78 BLM (0.48) ESR1TSHRBLMRECQLHSD17B10
SCHEMBL5988427 0.77 ESR1 (0.52) ESR1TSHRHSD17B10POLBMAPT
SCHEMBL28481713 0.77 ESR1 (0.58) ESR1TSHRTDP1ALDH1A1CES2
SCHEMBL1043886 0.77

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
EP-2079699-A1 QUINOLINE DERIVATIVES Envivo Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
WO-2008014602-A1 QUINOLINE DERIVATIVES ENVIVO PHARMACEUTICALS, INC. (US) 2008-02-07 WO disclosed
WO-2007065524-A1 ERYTHRULOSE ESTERS AS UV FILTERS MERCK PATENT GMBH (DE) 2007-06-14 WO disclosed