SCHEMBL31324952

SCHEMBL31324952

O=C(O)c1cnc(-c2cccc(Cl)c2)nc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
HPGD P15428 3/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
MAP4K4 O95819 1/20 0.48
KMO O15229 2/20 0.48
EGLN1 Q9GZT9 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
DCLRE1B Q9H816 1/20 0.45
CYP19A1 P11511 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
SCHEMBL11782400 0.85 CSNK1D (0.56) MEN1KMT2AHPGDGAAMAPT
SCHEMBL13274916 0.84 KMT2A (0.57) MEN1KMT2AHPGDGAAMAPT
SCHEMBL3788527 0.83 MEN1 (0.60) MEN1KMT2AHPGDGAAMAPT
SCHEMBL11788374 0.83 MCL1 (0.52) MEN1KMT2AHPGDGAAMAPT
SCHEMBL31324955 0.83 KMO (0.48) MEN1KMT2AHPGDGAAMAPT
SCHEMBL11781633 0.82 MEN1 (0.57) MEN1KMT2AHPGDGAAMAPT
SCHEMBL8946347 0.82 MEN1 (0.64) MEN1KMT2AHPGDGAAMAPT
SCHEMBL11781393 0.80 MEN1 (0.52) MEN1KMT2AHPGDEGLN1CYP1A2
SCHEMBL13275140 0.79 NPC1 (0.55) MEN1KMT2AHPGDGAAMAPT
SCHEMBL10998505 0.78 DHFR (0.48) MEN1KMT2AHPGDGAAMAPT

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
CN-119504571-A Right-embedded alcohol or fenchyl alcohol ester derivatives of 2-hydroxy nicotinic acid and pharmaceutical application thereof 苏州缘聚医药科技有限公司 2025-02-25 CN disclosed