SCHEMBL19357130

SCHEMBL19357130

O=C(CC1CCCCC1)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.65
▸ NPC1 O15118 5/20 0.64
▸ RAB9A P51151 6/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ ELOVL1 Q9BW60 2/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ MAPT P10636 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.58
▸ MAPK1 P28482 2/20 0.57
▸ USP2 O75604 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ HDAC3 O15379 1/20 0.57
▸ HDAC4 P56524 1/20 0.57
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC7 Q8WUI4 1/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ HDAC10 Q969S8 1/20 0.57

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
SCHEMBL2753301 0.82 LMNA (0.71) LMNANPC1RAB9AKMT2AELOVL1
SCHEMBL17107238 0.81 RAB9A (0.70) LMNANPC1RAB9AKMT2AELOVL1
SCHEMBL19357131 0.79 LMNA (1.00) LMNANPC1RAB9AKMT2AELOVL1
SCHEMBL3455457 0.79 MAPT (0.60) LMNANPC1RAB9AKMT2AELOVL1
SCHEMBL225327 0.79 ELOVL1 (0.74) LMNANPC1RAB9AKMT2AELOVL1
SCHEMBL8402291 0.78 MAPT (0.73) LMNANPC1RAB9AKMT2AELOVL1
SCHEMBL2452315 0.78 ELOVL1 (0.72) LMNANPC1RAB9AKMT2AELOVL1
SCHEMBL21224224 0.78 ELOVL1 (0.72) LMNANPC1RAB9AKMT2AELOVL1
SCHEMBL1357607 0.78 ELOVL1 (0.72) LMNANPC1RAB9AKMT2AELOVL1
SCHEMBL27982784 0.77 LMNA (0.45) LMNANPC1RAB9AKMT2AELOVL1

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
WO-2017157882-A1 SERINE BIOSYNTHETIC PATHWAY INHIBITORS Université Catholique de Louvain (BE) 2017-09-21 — — WO claimed
WO-2017157882-A1 SERINE BIOSYNTHETIC PATHWAY INHIBITORS Université Catholique de Louvain (BE) 2017-09-21 — — WO disclosed
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