SCHEMBL17632274

SCHEMBL17632274

N#CN(C(=O)C1CCNC1)c1ccc(N2CCOCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ KDM1A O60341 1/20 0.38
▸ IDH1 O75874 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ TBK1 Q9UHD2 7/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ UCHL1 P09936 1/20 0.35

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
SCHEMBL17632787 0.79 MEN1 (0.40) KDM1APOLBUSP30MEN1KMT2A
SCHEMBL17631951 0.79 SLC6A2 (0.38) —
SCHEMBL17631911 0.78 UCHL1 (0.45) JAK2JAK3KDM1AIDH1POLB
SCHEMBL17632326 0.76 USP30 (0.49) USP30
SCHEMBL17632002 0.76 CDK9 (0.41) KDM1AALDH1A1SMN1; SMN2
SCHEMBL17631943 0.76 USP30 (0.49) USP30
SCHEMBL17631859 0.75 USP30 (0.39) KDM1AUSP30
SCHEMBL17632146 0.75 USP30 (0.41) KDM1AUSP30MEN1KMT2A
SCHEMBL17631775 0.75 KDM4E (0.41) KDM4EKMT2ASMN1; SMN2
SCHEMBL17632600 0.74 CDK9 (0.39) ALDH1A1KDM4EMAPTHPGDSMN1; 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 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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