SCHEMBL31417766

SCHEMBL31417766

O=C(Nc1cc(OC(F)(F)F)ccc1F)OCc1cc(C(=O)O)cc2c1OCC2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.37
▸ ALKBH1 Q13686 1/20 0.36
▸ KDR P35968 3/20 0.36
▸ MRGPRX4 Q96LA9 2/20 0.36
▸ AURKA O14965 1/20 0.35
▸ TPX2 Q9ULW0 1/20 0.35
▸ IGF2BP2 Q9Y6M1 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ FFAR4 Q5NUL3 4/20 0.34
▸ FFAR1 O14842 2/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ KCNK2 O95069 1/20 0.34
▸ KCNK10 P57789 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ PTGFR P43088 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ CHRM4 P08173 1/20 0.33

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
SCHEMBL31417624 0.92 MRGPRX4 (0.36) DHODHKDRMRGPRX4BRAFFFAR4
SCHEMBL31417649 0.82 CRBN (0.41) KDR
SCHEMBL31417662 0.82 CRBN (0.41) KDR
SCHEMBL31417719 0.81 TRPV1 (0.33) KDRBRAFFFAR4FFAR1ENPP2
SCHEMBL31417764 0.81 TRPV1 (0.33) KDRBRAFFFAR4FFAR1ENPP2
SCHEMBL31417688 0.79 ALKBH1 (0.37) ALKBH1KDRMRGPRX4AURKATPX2
SCHEMBL31417667 0.79 IGF2BP2 (0.38) ALKBH1KDRMRGPRX4AURKATPX2
SCHEMBL1984984 0.71 SMN1; SMN2 (0.49) KDRBRAFFFAR4
SCHEMBL31417583 0.70 KDR (0.36) ALKBH1KDRIGF2BP2BRAFKCNK2
SCHEMBL31417701 0.68 NPC1 (0.47) KDRBRAFFFAR4FFAR1

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-2025016457-A1 NEW SUBSTITUTED HETEROCYCLIC COMPOUND AS GSPTS/MYC SIGNAL FLUX REGULATOR 杭州德睿智药科技有限公司 2025-01-23 — — WO disclosed
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