SCHEMBL21935695

SCHEMBL21935695

CN1C(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccncc3)cc2)N(C)C1O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PORCN Q9H237 4/20 0.46
▸ TRPA1 O75762 4/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ F2 P00734 2/20 0.37
▸ F10 P00742 2/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL19997382 0.89 PORCN (0.40) PORCNTRPA1RXFP1TP53TRPV4
SCHEMBL20029975 0.86 MEN1 (0.48) TRPA1RXFP1TP53SMN1; SMN2
SCHEMBL22105263 0.85 PORCN (0.40) PORCNTRPA1TP53TRPV4IDO1
SCHEMBL22105261 0.85 PSEN1 (0.41) PORCNRXFP1IDO1F2F10
SCHEMBL19626536 0.85 MAPT (0.47) TRPA1TP53SMN1; SMN2
SCHEMBL19626687 0.84 SMN1; SMN2 (0.42) RXFP1IDO1MGLLF2F10
SCHEMBL19626686 0.84 RAB9A (0.52) TRPA1RXFP1TP53TRPV4IDO1
SCHEMBL19590943 0.84 GAA (0.45) SMN1; SMN2
SCHEMBL19590905 0.84 TRPA1 (0.41) PORCNTRPA1RXFP1TP53TRPV4
SCHEMBL22105260 0.83 KMT2A (0.46) IDO1HTTSMN1; SMN2

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
EP-2999699-B1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY SCIENCE TECH & RES (SG) 2020-04-29 — — EP disclosed
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