SCHEMBL7717285

SCHEMBL7717285

NC(=N/N=C/c1cccnc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP11B2 P19099 2/20 0.51
CYP19A1 P11511 1/20 0.51
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
TAAR1 Q96RJ0 2/20 0.49
ASF1A Q9Y294 1/20 0.48
LMNA P02545 1/20 0.47
CYP11B1 P15538 1/20 0.46
G6PC1 P35575 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL7717282 1.00 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ACYP11B2CYP19A1
SCHEMBL7717288 1.00 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ACYP11B2CYP19A1
SCHEMBL15583383 0.84 GRIN2D (0.68) ALDH1A1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL6950318 0.79 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL6950321 0.79 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL6950327 0.79 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL10549557 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP11B2CYP19A1
SCHEMBL10494011 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP11B2CYP19A1
SCHEMBL28073535 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACYP11B2TAAR1
SCHEMBL7719407 0.73 NPC1 (0.59) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6379655-B1 FOR PROTECTION OF HUMAN SKIN AND/OR HAIR AGAINST THE DAMAGING EFFECTS OF ULTRAVIOLET IRRADIATION SOCIETE L'OREAL S.A. (FR) 2002-04-30 US claimed
US-6379655-B1 FOR PROTECTION OF HUMAN SKIN AND/OR HAIR AGAINST THE DAMAGING EFFECTS OF ULTRAVIOLET IRRADIATION SOCIETE L'OREAL S.A. (FR) 2002-04-30 US disclosed