SCHEMBL31417786

SCHEMBL31417786

O=C(Nc1cc(OC(F)(F)F)ccc1F)OCc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2occc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.33
▸ GYS1 P13807 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ TACR3 P29371 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ RIPK1 Q13546 1/20 0.32
▸ RIPK3 Q9Y572 1/20 0.32
▸ KDR P35968 2/20 0.32
▸ LCLAT1 Q6UWP7 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ TDO2 P48775 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
SCHEMBL31417730 0.84 GRM5 (0.38) TRPV1GYS1PTGESNPC1RAB9A
SCHEMBL31417583 0.77 KDR (0.36) TRPV1NPC1RAB9AKDRLCLAT1
SCHEMBL31417628 0.76 RIPK1 (0.34) GYS1RIPK1RIPK3KDR
SCHEMBL31417667 0.73 IGF2BP2 (0.38) MRGPRX4KDRLCLAT1BRAF
SCHEMBL31417688 0.72 ALKBH1 (0.37) MRGPRX4KDRLCLAT1BRAF
SCHEMBL31417738 0.70 KDR (0.33) KDRLCLAT1BRAF
SCHEMBL31417650 0.67 MAPT (0.38) NPC1RAB9AKDRLCLAT1BRAF
SCHEMBL25254252 0.66 PTGER1 (0.62) MRGPRX4
SCHEMBL30158160 0.66 PTGER1 (0.62) MRGPRX4
SCHEMBL5446055 0.65 IGF2BP2 (0.61) NPC1RAB9AMRGPRX4CASP3

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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