SCHEMBL31339998

SCHEMBL31339998

O=C(O)c1cc2ccc(OC(F)F)nc2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TEAD4 Q15561 1/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ HSD17B2 P37059 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL10321662 0.82 KDM4E (0.52) ALDH1A1KDM4EGAAPOLBMEN1
SCHEMBL31339870 0.75 KDM4E (0.55) ALDH1A1KDM4EGAAPOLBMEN1
SCHEMBL27840816 0.74 KDM4E (0.49) ALDH1A1KDM4EGAAPOLBMEN1
SCHEMBL10321486 0.70 CLK1 (0.47) ALDH1A1KDM4EGAAPOLBMAPT
SCHEMBL31660819 0.69 GABRP (0.50) ALDH1A1KDM4EPOLBMEN1MAPT
SCHEMBL29656551 0.69 TDP1 (0.40) ALDH1A1KDM4EGAAPOLBMEN1
SCHEMBL28913972 0.69 GABRP (0.50) ALDH1A1KDM4EPOLBMEN1MAPT
SCHEMBL373592 0.68 DAO (0.64) ALDH1A1KDM4EGAAPOLBMAPT
SCHEMBL31214360 0.67 TDP1 (0.71) ALDH1A1KDM4EPOLBMEN1MAPT
SCHEMBL10320968 0.67 PRKDC (0.38) ALDH1A1KDM4EGAAPOLBCNR2

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
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 — — EP disclosed
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