SCHEMBL17632070

SCHEMBL17632070

COc1ccc(-c2cc(N(C#N)C(=O)C3CCNC3)on2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 5/20 0.43
▸ UCHL1 P09936 3/20 0.43
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NAAA Q02083 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RXFP1 Q9HBX9 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HPGD P15428 2/20 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
SCHEMBL17632437 0.87 USP30 (0.48) USP30UCHL1SMN1; SMN2NPC1RAB9A
SCHEMBL17632002 0.75 CDK9 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17631866 0.75 CDK9 (0.41) SMN1; SMN2CYP1A2NPC1RAB9AALDH1A1
SCHEMBL17631550 0.74 ABL1 (0.41) MEN1KMT2ALMNAMAPT
SCHEMBL17632020 0.71 MAPT (0.46) USP30SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL17632381 0.70 USP30 (0.48) USP30UCHL1SMN1; SMN2NPC1RAB9A
SCHEMBL17631709 0.68 FLT3 (0.43) SMN1; SMN2NPC1
SCHEMBL17631874 0.67 USP30 (0.51) USP30
SCHEMBL17632023 0.66 USP30 (0.42) USP30UCHL1CYP1A2ALDH1A1LMNA
SCHEMBL17632146 0.66 USP30 (0.41) USP30MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP claimed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO claimed
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