SCHEMBL17632007

SCHEMBL17632007

N#CN(C(=O)[C@H]1CCNC1)c1nc2ccc(-c3ccccc3)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 11/20 0.41
▸ LIPC P11150 2/20 0.41
▸ ABL1 P00519 2/20 0.41
▸ PIK3CG P48736 1/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ S1PR1 P21453 1/20 0.38
▸ OTUD7B Q6GQQ9 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL17631550 0.89 ABL1 (0.41) ABL1MAP4K1LMNA
SCHEMBL17632621 0.88 ALDH1A1 (0.47) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL17632035 0.87 ABL1 (0.45) ABL1MAP4K1
SCHEMBL17632490 0.86 MAPT (0.43) KDM4ELMNAALDH1A1
SCHEMBL17632611 0.85 RAB9A (0.37) KDM4ELMNASMN1; SMN2
SCHEMBL17631984 0.84 DYRK1A (0.33) MAP4K1ALDH1A1
SCHEMBL17632567 0.83 BRD4 (0.47) LIPGMAP4K1LMNAALDH1A1
SCHEMBL17632229 0.82 CYP2D6 (0.42) —
SCHEMBL17632020 0.82 MAPT (0.46) KDM4ELMNANFKB1NFKB2RELA
SCHEMBL17631887 0.82 USP30 (0.44) ABL1MAP4K1

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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