SCHEMBL31662237

SCHEMBL31662237

Cn1cnnc1-c1cc(Oc2ccc(OCc3ccccc3)cc2)c2cncn2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.39
RAB9A P51151 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
QPCT Q16769 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
HMOX1 P09601 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL31662299 0.85 JAK3 (0.40)
SCHEMBL31662400 0.78 MAOB (0.41) TRIM24RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL21978806 0.77 ENPP3 (0.51) RAB9ASMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL31662171 0.77 TTK (0.36)
SCHEMBL31662601 0.74 MEN1 (0.44) TRIM24RAB9ASMN1; SMN2POLBNPC1
SCHEMBL31662127 0.73 DGAT1 (0.52) TRIM24RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL31662145 0.70 RAB9A (0.39) RAB9AALDH1A1NPC1QPCT
SCHEMBL31662191 0.69 HRH3 (0.44) ALDH1A1QPCTLMNA
SCHEMBL31661980 0.67 SCN9A (0.34)
SCHEMBL21978557 0.66 HPGDS (0.52) RAB9ASMN1; SMN2POLBNPC1MEN1

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed