SCHEMBL3943337

SCHEMBL3943337

Cc1nc2c(N)cnn2[nH]1.Nc1cnn2[nH]c(-c3ccccc3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
NPC1 O15118 3/20 0.37
ALOX12 P18054 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL2267810 0.93 MEN1 (0.41) HSD17B10MEN1KMT2ANPC1ALOX12
SCHEMBL2266948 0.84 SMPD3 (0.39) SMPD3
SCHEMBL6287777 0.72 SMN1; SMN2 (0.41) HSD17B10MEN1KMT2ANPC1ALOX12
SCHEMBL6288027 0.69 KMT2A (0.40) HSD17B10MEN1KMT2ANPC1HTT
SCHEMBL6283336 0.68 MEN1 (0.42) HSD17B10MEN1KMT2ANPC1ALOX12
SCHEMBL6286052 0.63 ADORA1 (0.39) HSD17B10MEN1KMT2ANPC1ALOX12
SCHEMBL6286090 0.63 ALDH1A1 (0.38) HSD17B10MEN1KMT2ANPC1ALOX12
SCHEMBL6286492 0.63 PIN1 (0.44) HSD17B10MEN1KMT2ANPC1ALOX12
SCHEMBL2267581 0.62 MEN1 (0.42) HSD17B10MEN1KMT2ANPC1ALOX12
SCHEMBL2267564 0.62 ALDH1A1 (0.40) HSD17B10MEN1KMT2ANPC1ALOX12

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-1413286-B1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent OREAL (FR) 2009-04-22 EP disclosed
EP-1459732-A1 Dye composition comprising at least one heterocyclic oxidation base and at least one 2,3,5-triaminopyridine as coupler L'OREAL (FR) 2004-09-22 EP disclosed
EP-1413286-A1 Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent L'OREAL (FR) 2004-04-28 EP disclosed