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Sugi Predict / Compounds / SCHEMBL31661578

SCHEMBL31661578

SCHEMBL31661578

Cc1cc(-c2nc(C(F)(F)F)cn2C)ccc1-c1noc(-c2ccc(F)cc2-c2cnn(C)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 15/20 0.40
▸ S1PR3 Q99500 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ PLAT P00750 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ KCNT1 Q5JUK3 1/20 0.35
▸ USP1 O94782 1/20 0.34

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
SCHEMBL31661635 0.84 S1PR1 (0.45) S1PR1S1PR3
SCHEMBL31661573 0.81 PTGS1 (0.41) S1PR1USP1
SCHEMBL31661646 0.80 S1PR1 (0.49) S1PR1USP1
SCHEMBL31661691 0.80 S1PR1 (0.38) S1PR1HSP90AA1USP1
SCHEMBL31661641 0.79 S1PR1 (0.46) S1PR1S1PR3
SCHEMBL31661537 0.79 NPC1 (0.41) S1PR1S1PR3HSP90AA1USP1
SCHEMBL31661770 0.79 S1PR1 (0.43) S1PR1S1PR3HSP90AA1
SCHEMBL31661647 0.78 NPC1 (0.44) S1PR1PLATUSP1
SCHEMBL31661680 0.78 NPC1 (0.38) S1PR1USP1
SCHEMBL31661698 0.78 USP1 (0.38) S1PR1USP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 — — WO claimed
WO-2025151705-A1 NOVEL INHIBITORS OF DNA DAMAGE REPAIR PATHWAY VRISE THERAPEUTICS, INC. (US) 2025-07-17 — — WO disclosed