SCHEMBL25534280

SCHEMBL25534280

CCc1cc(C(=O)Nc2cc(N)ccc2C)no1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 6/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL25257220 0.84 MAPT (0.56) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL9817294 0.76 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MAPK1THRB
SCHEMBL11289487 0.74 MAPT (0.51) ALDH1A1MAPT
SCHEMBL19376953 0.73 MAPT (0.57) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL11689056 0.71 GAA (0.50) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL25536494 0.71 MAOB (0.52) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL19376840 0.71 CSF1R (0.52) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL21939043 0.71 THRB (0.56) SMN1; SMN2RAB9ANPC1HPGDTHRB
SCHEMBL14069154 0.71 THRB (0.56) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL11321386 0.70 DDX3X (0.57) RAB9AMEN1KMT2AALDH1A1ATM

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-2023096304-A1 ISOXAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND USE THEREOF 한양대학교 에리카산학협력단 2023-06-01 WO disclosed