SCHEMBL31417667

SCHEMBL31417667

O=C(Nc1cc(OC(F)(F)F)ccc1F)OCc1cc(C(=O)O)cc2ccoc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IGF2BP2 Q9Y6M1 1/20 0.38
▸ ALKBH1 Q13686 1/20 0.37
▸ MRGPRX4 Q96LA9 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ TPX2 Q9ULW0 1/20 0.36
▸ KDR P35968 5/20 0.35
▸ PTGFR P43088 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ KCNK2 O95069 1/20 0.35
▸ KCNK10 P57789 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ LCLAT1 Q6UWP7 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ RORC P51449 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
SCHEMBL31417688 0.85 ALKBH1 (0.37) IGF2BP2ALKBH1MRGPRX4AURKATPX2
SCHEMBL31417524 0.81 HPGDS (0.40) KDRBRAF
SCHEMBL31417583 0.80 KDR (0.36) IGF2BP2ALKBH1KDRBRAFKCNK2
SCHEMBL31417766 0.79 DHODH (0.37) IGF2BP2ALKBH1MRGPRX4AURKATPX2
SCHEMBL31417650 0.76 MAPT (0.38) KDRBRAFLCLAT1EPHX2
SCHEMBL31417738 0.73 KDR (0.33) KDRBRAFLCLAT1
SCHEMBL1984984 0.72 SMN1; SMN2 (0.49) KDRBRAF
SCHEMBL31417624 0.71 MRGPRX4 (0.36) MRGPRX4KDRBRAFLCLAT1
SCHEMBL31417701 0.69 NPC1 (0.47) KDRBRAFLCLAT1EPHX2
SCHEMBL31417741 0.68 EPHX2 (0.47) IGF2BP2KDRBRAFKCNK2KCNK10

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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