SCHEMBL10936648

SCHEMBL10936648

CC(CCC#N)(NC(=O)c1ccc(Br)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.41
FPR2 P25090 1/20 0.40
CTSS P25774 2/20 0.40
CTSB P07858 2/20 0.40
CTSL P07711 1/20 0.40
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
CTSK P43235 1/20 0.38
POLB P06746 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NCOR2 Q9Y618 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
SCHEMBL10936654 1.00 OGG1 (0.41) OGG1FPR2CTSSCTSBCTSL
SCHEMBL10940488 0.87 OGG1 (0.40) OGG1CTSSCTSBCTSLHDAC3
SCHEMBL10940483 0.87 OGG1 (0.40) OGG1CTSSCTSBCTSLHDAC3
SCHEMBL10936635 0.86 CTSL (0.48) CTSSCTSBCTSLCTSKALDH1A1
SCHEMBL10940237 0.86 ALDH1A1 (0.43) CTSBPOLBALDH1A1KDM4EMAPT
SCHEMBL10940243 0.86 ALDH1A1 (0.43) CTSBPOLBALDH1A1KDM4EMAPT
SCHEMBL10939776 0.86 FOLH1 (0.37) CTSLPOLB
SCHEMBL10936639 0.86 CTSL (0.48) CTSSCTSBCTSLCTSKALDH1A1
SCHEMBL10939773 0.86 FOLH1 (0.37) CTSLPOLB
SCHEMBL10935401 0.77 CTSV (0.47) CTSSCTSBCTSLCTSKALDH1A1

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-4545942-A IMMUNOREGULATORS; ANTITUMOR AGENTS SANKYO COMPANY, LIMITED (JP) 1985-10-08 US claimed