SCHEMBL1562598

SCHEMBL1562598

O=C(O)C(Cc1c[nH]cn1)NC(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.44
▸ PKM P14618 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CTSL P07711 3/20 0.42
▸ CTSB P07858 3/20 0.42
▸ HTT P42858 1/20 0.40
▸ CTSS P25774 7/20 0.40
▸ CTSK P43235 2/20 0.38
▸ CTSH P09668 1/20 0.38
▸ CTSC P53634 1/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 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
SCHEMBL1562599 1.00 POLB (0.44) POLBPKMSMN1; SMN2CTSLCTSB
SCHEMBL10555105 0.89 CTSL (0.56) POLBCTSLCTSBCTSSCTSK
SCHEMBL27965028 0.84 NPPA (0.41) —
SCHEMBL1852181 0.84 NPPA (0.41) —
SCHEMBL25269738 0.83 MMP1 (0.42) PKMSMN1; SMN2PIN1KMT2A
SCHEMBL25218367 0.83 MMP1 (0.42) PKMSMN1; SMN2PIN1KMT2A
SCHEMBL10337293 0.83 CTSS (0.41) POLBSMN1; SMN2CTSLCTSBCTSS
SCHEMBL22387822 0.82 CTSL (0.39) PKMSMN1; SMN2CTSLCTSBCTSS
SCHEMBL7908157 0.82 CTSL (0.39) PKMSMN1; SMN2CTSLCTSBCTSS
SCHEMBL26019659 0.82 CTSL (0.39) PKMSMN1; SMN2CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404356-B1 METHOD FOR DESIGNING CD10-ACTIVATED PRODRUG COMPOUNDS MEDAREX INC (US) 2011-04-06 — — EP disclosed
Send feedback