SCHEMBL11061826

SCHEMBL11061826

CN(C)c1ccc(Nc2ccc([N+]#N)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 5/20 0.40
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
ALOX15 P16050 4/20 0.40
CYP2C19 P33261 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
HSD17B10 Q99714 4/20 0.40
USP2 O75604 3/20 0.40
TP53 P04637 3/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
IGF1R P08069 1/20 0.37
KDM1A O60341 1/20 0.37

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
SCHEMBL11061272 0.83 GRM5 (0.44) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL11064116 0.79 HCAR3 (0.51) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL11064014 0.78 PRKAA2 (0.36) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL167901 0.72 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPK1CYP3A4
SCHEMBL11062971 0.71 HCAR3 (0.44) EGFRAPPMAPT
Hydrochloric Acid SCHEMBL1884245 0.70 ALDH1A1 (0.55) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL10932536 0.70 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPK1CYP3A4
SCHEMBL6898413 0.70 RAB9A (0.51) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL11709113 0.70 NPC1 (0.51) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL14234050 0.69 NPC1 (0.59) NPC1MEN1KMT2ARAB9AALDH1A1

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
US-4482489-A USEFUL IN DIAZOTYPE SYSTEMS AND AS LATENT POLYMERIZATION INITIATORS JAMES RIVER GRAPHICS, INC. (US) 1984-11-13 US disclosed