SCHEMBL25453064

SCHEMBL25453064

CN(c1ccc(O)cc1)c1cc(N)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 3/20 0.35
NPC1 O15118 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA3 P07451 1/20 0.34
THRB P10828 1/20 0.34
CA6 P23280 1/20 0.34

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
SCHEMBL4667357 0.88 ALDH1A1 (0.43) ALDH1A1HSD17B10NPC1MEN1KMT2A
SCHEMBL25453062 0.83 KCNH2 (0.47) LMNAMAPTHPGDALOX15EGFR
SCHEMBL25453079 0.83 EGFR (0.48) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL12669556 0.83 ALDH1A1 (0.37) ALDH1A1HSD17B10MAPTSMN1; SMN2CYP3A4
SCHEMBL25175471 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10LMNAMAPTCYP3A4
SCHEMBL3658312 0.74 ADORA2A (0.44) ALDH1A1HSD17B10MEN1KMT2AMAPK1
SCHEMBL17602105 0.74 GRIA1 (0.52) GRIA1ALDH1A1HSD17B10NPC1MEN1
SCHEMBL30502771 0.73 EGFR (0.46) ALDH1A1EGFRGRM5
SCHEMBL25453063 0.73 EGFR (0.46) ALDH1A1EGFRGRM5
SCHEMBL29187152 0.69 OPRD1 (0.39) ALDH1A1SMN1; SMN2ASIC3

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
WO-2023081800-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-11 WO disclosed