SCHEMBL31324964

SCHEMBL31324964

O=C(O)c1cnc(-c2ccc(Br)cc2)nc1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
HPGD P15428 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
EPRS1 P07814 2/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AKR1C3 P42330 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL3788527 0.85 MEN1 (0.60) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL11240852 0.84 MEN1 (0.46) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL11781633 0.84 MEN1 (0.57) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL11782992 0.82 MEN1 (0.50) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL11780947 0.80 ALDH1A1 (0.60) MEN1KMT2AHPGDRXFP1NPC1
SCHEMBL11781528 0.80 ALDH1A1 (0.56) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL11786811 0.80 ALDH1A1 (0.64) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL11781500 0.79 NPC1 (0.66) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11783775 0.79 TDP1 (0.51) MEN1KMT2AHPGDNPC1RAB9A
SCHEMBL11782959 0.79 ALDH1A1 (0.58) MEN1KMT2AHPGDRXFP1NPC1

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