SCHEMBL25804366

SCHEMBL25804366

CNc1nc(-c2ccc(OC)cc2)c(N)s1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.72
MAPT P10636 8/20 0.72
KDM4E B2RXH2 6/20 0.72
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.46
PTGS2 P35354 1/20 0.46
MEN1 O00255 1/20 0.45
MYC P01106 1/20 0.45
WDR5 P61964 1/20 0.45
ADORA1 P30542 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL19650376 0.80 MYC (0.60) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL25804353 0.80 CCNA2 (0.45) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL20715919 0.76 MAPT (0.81) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL14148648 0.74 PTGDR2 (0.60) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL14148755 0.74 PTGDR2 (0.60) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL6546517 0.74 MAPT (0.72) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL8067414 0.70 MAPT (0.69) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL21852751 0.69 ALDH1A1 (0.67) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL9829979 0.69 ALOX5 (0.62) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL558439 0.69 ALDH1A1 (0.68) ALDH1A1MAPTKDM4ENPC1RAB9A

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-2877628-B1 DISPERSE AZO DYES, A PROCESS FOR THE PREPARATION THEREOF AND THE USE THEREOF HUNTSMAN TEXTILE EFFECTS SWITZERLAND GMBH (CH) 2023-07-12 EP disclosed