SCHEMBL31604514

SCHEMBL31604514

COC(=O)c1c(C)cc2ccc(OS(=O)(=O)C(F)(F)F)cn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CXCR2 P25025 2/20 0.40
▸ HSD11B1 P28845 1/20 0.35
▸ CXCR1 P25024 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ STS P08842 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX12 P18054 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
SCHEMBL31604515 0.74 TDP1 (0.42) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL31604501 0.73 MAPT (0.44) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL31604507 0.71 CXCR2 (0.41) CXCR2HSD11B1CXCR1CA1CA2
SCHEMBL31604508 0.70 MAPT (0.41) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL10073218 0.70 CYP3A4 (0.49) ALDH1A1MAPTMEN1KMT2ACXCR2
SCHEMBL31604510 0.70 KDM4E (0.40) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL31604502 0.70 PABPC1 (0.45) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL1928327 0.70 STS (0.65) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL21580842 0.69 ADORA1 (0.43) ALDH1A1KDM4EMAPTTDP1CXCR2
SCHEMBL364294 0.69 KMT2A (0.44) ALDH1A1KDM4EMEN1KMT2ACXCR2

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-2025111415-A1 TRPM3-MODULATING INDOLIZINE DERIVATIVES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-05-30 — — WO disclosed
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