SCHEMBL31417738

SCHEMBL31417738

O=C(Nc1cc(OC(F)(F)F)ccc1F)OCc1ccc(-n2ccc(=O)[nH]c2=O)c2occc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.33
▸ WDR5 P61964 1/20 0.32
▸ BRAF P15056 2/20 0.32
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP12 P39900 1/20 0.31
▸ ENPP2 Q13822 2/20 0.31
▸ ATXN2 Q99700 1/20 0.31
▸ LCLAT1 Q6UWP7 1/20 0.30

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
SCHEMBL31417583 0.81 KDR (0.36) KDRWDR5BRAFENPP2LCLAT1
SCHEMBL31417688 0.73 ALKBH1 (0.37) KDRBRAFLCLAT1
SCHEMBL31417667 0.73 IGF2BP2 (0.38) KDRBRAFLCLAT1
SCHEMBL31417786 0.70 TRPV1 (0.33) KDRBRAFLCLAT1
SCHEMBL31417650 0.69 MAPT (0.38) KDRBRAFLCLAT1
SCHEMBL31417766 0.67 DHODH (0.37) KDRBRAFENPP2
SCHEMBL1984984 0.66 SMN1; SMN2 (0.49) KDRBRAF
SCHEMBL31417624 0.65 MRGPRX4 (0.36) KDRBRAFENPP2LCLAT1
SCHEMBL31417701 0.63 NPC1 (0.47) KDRBRAFLCLAT1
SCHEMBL27352098 0.61 NPC1 (0.40) KDRBRAFMMP12ENPP2

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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