SCHEMBL17632075

SCHEMBL17632075

Cc1nc(N(C#N)C(=O)[C@H]2CCNC2)sc1CN1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PDE2A O00408 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
SCHEMBL17631706 0.81 GAA (0.36) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17631911 0.75 UCHL1 (0.45) POLBPIK3CD
SCHEMBL17632276 0.70 F10 (0.41) KDM4EHPGD
SCHEMBL17632490 0.69 MAPT (0.43) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL17632104 0.69 SLC6A2 (0.33) —
SCHEMBL17631689 0.69 SMN1; SMN2 (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL17632318 0.69 GRM5 (0.41) —
SCHEMBL17632164 0.68 IKBKB (0.33) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL17631727 0.68 MAPT (0.44) POLBKDM4EALDH1A1HTTMEN1
SCHEMBL17632538 0.68 ALDH1A1 (0.51) POLBKDM4EALDH1A1MEN1KMT2A

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 4 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
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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