SCHEMBL31099092

SCHEMBL31099092

[2H]C([2H])([2H])C(C(=O)OCc1ccccc1)(C(=O)OCc1ccccc1)c1cc(OC)ncc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PABPC1 P11940 1/20 0.39
ALDH1A1 P00352 4/20 0.37
PTPN1 P18031 2/20 0.35
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK10 P53779 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
F2RL3 Q96RI0 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
SCHEMBL31207261 1.00 POLB (0.39) POLBMEN1KMT2APABPC1ALDH1A1
SCHEMBL24853905 0.93 MEN1 (0.40) POLBMEN1KMT2APABPC1ALDH1A1
SCHEMBL31099062 0.93 MEN1 (0.40) POLBMEN1KMT2APABPC1ALDH1A1
SCHEMBL31207282 0.81 NNMT (0.37) POLBMEN1KMT2APABPC1ALDH1A1
SCHEMBL30318808 0.76 CNR2 (0.40) POLBMEN1KMT2APABPC1RAB9A
SCHEMBL24094506 0.76 CNR2 (0.40) POLBMEN1KMT2APABPC1RAB9A
SCHEMBL29002106 0.75 GPBAR1 (0.37) POLBMEN1KMT2AMAPK10
SCHEMBL24853925 0.74 KMT2A (0.41) MEN1KMT2APABPC1ALDH1A1CXCR1
SCHEMBL30318801 0.69 NNMT (0.38) POLBMEN1KMT2APABPC1NPC1
SCHEMBL29002114 0.68 MEN1 (0.41) POLBMEN1KMT2APABPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 WO disclosed
CN-118510780-A Spiro heterocyclic compounds and uses thereof 广州必贝特医药股份有限公司 2024-08-16 CN disclosed