SCHEMBL18944161

SCHEMBL18944161

CC(C)=NC1=C(C)c2cc(C)ccc2NCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PARP11 Q9NR21 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ CTSL P07711 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ NUDT1 P36639 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ NISCH Q9Y2I1 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALOX12 P18054 1/20 0.30

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
SCHEMBL10122765 0.79 PARP10 (0.39) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL5546719 0.69 ALDH1A1 (0.58) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL19978083 0.69 PARP10 (0.46) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL21160781 0.69 PARP10 (0.42) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL22726443 0.66 ALDH1A1 (0.39) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL24312365 0.66 PARP10 (0.40) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL23484221 0.66 PARP10 (0.40) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL12461 0.64 DRD2 (0.59) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL14255914 0.64 PARP10 (0.40) PARP10PARP1PARP11ALDH1A1MAPT
SCHEMBL14255904 0.64 ALDH1A1 (0.47) PARP10PARP1PARP11ALDH1A1MAPT

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-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 — — EP disclosed
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