SCHEMBL11503532

SCHEMBL11503532

CN(c1cccc(N)c1)c1cccc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
CASP1 P29466 2/20 0.52
RECQL P46063 1/20 0.52
KDR P35968 2/20 0.46
FGFR1 P11362 1/20 0.46
ALDH1A1 P00352 7/20 0.43
SIGMAR1 Q99720 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAOA P21397 1/20 0.41
TP53 P04637 2/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 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
SCHEMBL7875534 0.98 CYP3A4 (0.50) CYP3A4CASP1RECQLKDRFGFR1
SCHEMBL7877899 0.95 CYP3A4 (0.48) CYP3A4CASP1RECQLKDRFGFR1
SCHEMBL1467374 0.93 FGFR1 (0.49) CYP3A4CASP1RECQLKDRFGFR1
SCHEMBL29755998 0.89 KDR (0.44) CYP3A4CASP1RECQLKDRFGFR1
SCHEMBL374790 0.85 ALDH1A1 (0.54) CYP3A4CASP1RECQLALDH1A1SIGMAR1
SCHEMBL29647628 0.85 ALDH1A1 (0.54) CYP3A4CASP1RECQLALDH1A1SIGMAR1
SCHEMBL6918689 0.84 FGFR1 (0.41) CYP3A4CASP1RECQLKDRFGFR1
SCHEMBL12412921 0.83 MEN1 (0.51) CYP3A4CASP1RECQLKDRFGFR1
Hydrochloric Acid SCHEMBL374925 0.83 ALDH1A1 (0.52) CYP3A4CASP1RECQLALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL55144 0.83 ALDH1A1 (0.52) CYP3A4CASP1RECQLALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001666-A2 Imide-crosslinked ethylenic polymer resin foams and method of making THE DOW CHEMICAL COMPANY (US) 1979-05-02 EP disclosed