SCHEMBL4270836

SCHEMBL4270836

N=C(Nn1ccnc1)Nn1ccnc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.33
QPCT Q16769 1/20 0.33
HSD17B10 Q99714 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3915521 0.82
SCHEMBL10853262 0.78
SCHEMBL11067549 0.76 ALDH1A1 (0.39) NFKB1QPCTHSD17B10QPCTLALDH1A1
SCHEMBL9113432 0.74
SCHEMBL170781 0.74
SCHEMBL28704185 0.74
SCHEMBL10850590 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28800558 0.73
SCHEMBL28025714 0.73
SCHEMBL28172332 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113583043-B Strong-nucleophilicity organic phosphine compound for polar vinyl monomer polymerization, preparation method and application thereof 大连理工大学 2022-04-08 CN disclosed
CN-113583043-A Strong-nucleophilicity organic phosphine compound for polar vinyl monomer polymerization, preparation method and application thereof 大连理工大学 2021-11-02 CN disclosed
EP-2026754-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES Henkel AG & Co. KGaA (DE) 2009-02-25 EP disclosed
WO-2007137676-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO. KGAA (DE) 2007-12-06 WO disclosed