SCHEMBL18517072

SCHEMBL18517072

C=CC(C)N1C(=O)c2cscc2C1=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4624003 0.78 TDP1 (0.49) NPC1ALDH1A1MAPTKMT2A
SCHEMBL4623781 0.78 TDP1 (0.49) NPC1ALDH1A1MAPTKMT2A
SCHEMBL11964484 0.78 TDP1 (0.49) NPC1ALDH1A1MAPTKMT2A
SCHEMBL15561472 0.78 TDP1 (0.49) NPC1ALDH1A1MAPTKMT2A
SCHEMBL18517073 0.77 TDP1 (0.33) —
SCHEMBL13409576 0.65 CASP3 (0.44) MEN1ALDH1A1MAPTKMT2A
SCHEMBL10809397 0.64 MEN1 (0.30) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL8282201 0.64 MPO (0.39) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL10815521 0.62 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10815524 0.62 ALDH1A1 (0.35) ALDH1A1

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
US-20170044309-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS BY DIRECT ARYLATION AND HETEROARYLATION UNIVERSITE LAVAL (CA) 2017-02-16 — — US disclosed
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