SCHEMBL9011551

SCHEMBL9011551

CC(=O)O[C@@H](C#N)[C@H](Cc1ccccc1)N1Cc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC8 Q9BY41 5/20 0.44
▸ POLB P06746 1/20 0.38
▸ CTSC P53634 4/20 0.37
▸ CTSK P43235 2/20 0.36
▸ CTSS P25774 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL9089272 0.78 TDP1 (0.51) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL8473232 0.78 TDP1 (0.51) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL7172957 0.74 CTSC (0.47) MEN1KMT2APOLBCTSCCTSK
SCHEMBL10338258 0.68 CTSC (0.45) CTSCCTSKCTSSCTSLCTSB
SCHEMBL10338259 0.68 CTSC (0.45) CTSCCTSKCTSSCTSLCTSB
SCHEMBL27617686 0.68 NOTUM (0.48) MEN1KMT2AMAPT
SCHEMBL8770105 0.68 CTSL (0.45) POLBCTSCCTSKCTSSSMN1; SMN2
SCHEMBL31553563 0.67 ALDH1A1 (0.53) POLB
SCHEMBL9665783 0.67 ALDH1A1 (0.46) MEN1KMT2APOLBMAPTHSD17B10
SCHEMBL6006397 0.67 LMNA (0.62) MEN1KMT2AHDAC8POLBALOX15

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
US-5495025-A Isoindole compounds which are useful as intermediates HOFFMANN-LA ROCHE INC. (US) 1996-02-27 — — US disclosed
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