SCHEMBL9030409

SCHEMBL9030409

COc1cccc(CN2CCCCc3cc(CN(O)C(N)=O)ccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.53
HDAC6 Q9UBN7 7/20 0.53
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
KMT2A Q03164 2/20 0.44
HDAC8 Q9BY41 4/20 0.44
PTGER4 P35408 2/20 0.43
PTGER2 P43116 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC3 O15379 1/20 0.42
CYP2C19 P33261 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL9198265 0.98 HDAC1 (0.51) HDAC1HDAC6SIRT2SIRT1KMT2A
SCHEMBL5082657 0.94 PTGER4 (0.48) HDAC1HDAC6SIRT2SIRT1KMT2A
SCHEMBL9597233 0.89 HDAC1 (0.52) HDAC1HDAC6SIRT2SIRT1KMT2A
SCHEMBL9204479 0.89 HDAC1 (0.51) HDAC1HDAC6KMT2AHDAC8PTGER4
SCHEMBL9597610 0.89 PTGER4 (0.47) HDAC1HDAC6KMT2APTGER4PTGER2
SCHEMBL9598013 0.89 HDAC1 (0.43) HDAC1HDAC6KMT2AHDAC8HSD17B10
SCHEMBL9598020 0.88 HDAC1 (0.57) HDAC1HDAC6KMT2AHDAC8HSD17B10
SCHEMBL9598300 0.87 HDAC1 (0.48) HDAC1HDAC6SIRT2SIRT1KMT2A
SCHEMBL9208304 0.87 HDAC1 (0.43) HDAC1HDAC6KMT2AHDAC8HSD17B10
SCHEMBL9598441 0.86 HDAC1 (0.44) HDAC1HDAC6KMT2AHDAC8HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5478822-A Tetrahydrobenzazepine derivatives which inhibit lipoxygenase PFIZER INC. (US) 1995-12-26 US claimed
EP-0591255-B1 TETRAHYDROBENZAZEPINE DERIVATIVES WHICH INHIBIT LIPOXYGENASE PFIZER (US) 1996-01-10 EP disclosed
US-5478822-A Tetrahydrobenzazepine derivatives which inhibit lipoxygenase PFIZER INC. (US) 1995-12-26 US disclosed