SCHEMBL23715944

SCHEMBL23715944

CCOc1ccc(ONC)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MAOB P27338 3/20 0.42
▸ MAOA P21397 2/20 0.40
▸ XDH P47989 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL23716174 0.89 AR (0.44) ARNPC1RAB9ATP53HSD17B10
SCHEMBL7934186 0.79 AR (0.46) ARNPC1RAB9ATP53HSD17B10
SCHEMBL11843714 0.78 MAOB (0.59) ARNPC1RAB9ATP53HSD17B10
SCHEMBL7929558 0.77 AR (0.44) ARNPC1RAB9ATP53HSD17B10
SCHEMBL5901307 0.76 MAOB (0.48) ARNPC1RAB9ATP53HSD17B10
SCHEMBL4694901 0.75 AR (0.57) ARRAB9AXDHALDH1A1HPGD
SCHEMBL4673630 0.75 KDM4E (0.51) ARNPC1RAB9ATP53HSD17B10
SCHEMBL5902106 0.75 MAOB (0.78) ARMAOBMAOAXDH
SCHEMBL22272202 0.73 TRPV4 (0.47) ARHSD17B10XDHALDH1A1HPGD
SCHEMBL5901353 0.73 XDH (0.46) ARNPC1RAB9AXDHALDH1A1

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 — — EP disclosed
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