SCHEMBL17508795

SCHEMBL17508795

Nc1ccc(C(c2cccc(N)c2)C(c2cccc(N)c2)c2cccc(N)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CYP19A1 P11511 2/20 0.42
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.40
ENPP2 Q13822 1/20 0.40
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAOA P21397 1/20 0.38
TSHR P16473 2/20 0.38
CYP2D6 P10635 3/20 0.36
SLC6A2 P23975 3/20 0.36

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
SCHEMBL9804160 1.00 CYP3A4 (0.48) CYP3A4CASP1RECQLCA1CA2
SCHEMBL26185697 0.91 CYP3A4 (0.58) CYP3A4CASP1RECQLCA1CA2
SCHEMBL10953574 0.84 CA1 (0.60) CYP3A4CASP1RECQLCA1CA2
SCHEMBL1596487 0.80 MAPT (0.57) CYP3A4CASP1ALDH1A1KDM4ETDP1
SCHEMBL927270 0.78 CYP3A4 (0.44) CYP3A4CASP1RECQLCA1CA2
SCHEMBL4073301 0.78 CA1 (0.58) CYP3A4CASP1RECQLCA1CA2
SCHEMBL104340 0.76 CYP3A4 (0.52) CYP3A4CASP1RECQLCA1CA2
SCHEMBL5793548 0.76 CYP3A4 (0.52) CYP3A4CASP1RECQLCA1CA2
SCHEMBL30349751 0.76 CYP3A4 (0.52) CYP3A4CASP1RECQLCA1CA2
SCHEMBL16424114 0.75 CYP3A4 (0.58) CYP3A4CASP1RECQLCA1CA2

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-10450486-B2 Dual cure 1K PU adhesive formulations using matrix encapsulated polyamines DOW GLOBAL TECHNOLOGIES LLC (US) 2019-10-22 US disclosed
EP-3186289-B1 DUAL CURE 1K PU ADHESIVE FORMULATIONS USING MATRIX ENCAPSULATED POLYAMINES DOW GLOBAL TECHNOLOGIES LLC (US) 2019-01-02 EP disclosed
US-20170204300-A1 DUAL CURE 1K PU ADHESIVE FORMULATIONS USING MATRIX ENCAPSULATED POLYAMINES DOW EUROPE GMBH (CH) 2017-07-20 US disclosed
EP-3186289-A1 DUAL CURE 1K PU ADHESIVE FORMULATIONS USING MATRIX ENCAPSULATED POLYAMINES Dow Global Technologies Llc (US) 2017-07-05 EP disclosed
WO-2016022346-A1 DUAL CURE 1K PU ADHESIVE FORMULATIONS USING MATRIX ENCAPSULATED POLYAMINES DOW GLOBAL TECHNOLOGIES LLC (US) 2016-02-11 WO disclosed