SCHEMBL19997382

SCHEMBL19997382

CN1C(=O)c2c(ncn2CC(=O)Nc2ccc(-c3ccncn3)cc2)N(C)C1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PORCN Q9H237 4/20 0.40
▸ TRPA1 O75762 4/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.37
▸ TP53 P04637 3/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ APBA1 Q02410 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL21935695 0.89 PORCN (0.46) PORCNTRPA1TRPV4TP53RXFP1
SCHEMBL21935443 0.84 PORCN (0.40) PORCNTRPA1TRPV4TP53RXFP1
SCHEMBL20029975 0.82 MEN1 (0.48) TRPA1TP53RXFP1MAPTSMN1; SMN2
SCHEMBL19626637 0.82 PORCN (0.51) PORCN
SCHEMBL19626686 0.82 RAB9A (0.52) TRPA1TRPV4TP53RXFP1MAPT
SCHEMBL22105263 0.81 PORCN (0.40) PORCNTRPA1TRPV4TP53MGLL
SCHEMBL19626687 0.80 SMN1; SMN2 (0.42) RXFP1MGLLMAPTSMN1; SMN2MEN1
SCHEMBL19590943 0.80 GAA (0.45) CASP7SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL19590905 0.80 TRPA1 (0.41) PORCNTRPA1TRPV4TP53RXFP1
SCHEMBL22105261 0.80 PSEN1 (0.41) PORCNRXFP1MAPTSMN1; SMN2MEN1

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-9926320-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-27 — — US disclosed
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