SCHEMBL8799862

SCHEMBL8799862

COc1cccc(CN2CCCCC2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CMA1 P23946 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
ALDH1A1 P00352 2/20 0.53
PKM P14618 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49

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
SCHEMBL17048467 0.85 L3MBTL1 (0.67) KMT2AL3MBTL1ALDH1A1HRH3LMNA
SCHEMBL3459387 0.84 L3MBTL1 (0.64) KMT2AL3MBTL1CMA1SIGMAR1ALDH1A1
SCHEMBL8269584 0.84 L3MBTL1 (0.69) KMT2AL3MBTL1ALDH1A1HRH3LMNA
SCHEMBL20303832 0.82 L3MBTL1 (0.67) KMT2AL3MBTL1CMA1SIGMAR1ALDH1A1
SCHEMBL3790844 0.82 PDE4B (0.47) KMT2AL3MBTL1LMNAMEN1MTNR1A
SCHEMBL27383396 0.81 L3MBTL1 (0.65) KMT2AL3MBTL1ALDH1A1HRH3TP53
SCHEMBL13534478 0.81 L3MBTL1 (0.65) KMT2AL3MBTL1HRH3MEN1GAA
SCHEMBL4509396 0.81 ACACB (0.64) KMT2AL3MBTL1CMA1SIGMAR1ALDH1A1
SCHEMBL8799114 0.81 L3MBTL1 (0.53) KMT2AL3MBTL1HRH3
SCHEMBL26357193 0.80 KMT2A (0.58) KMT2ACMA1SIGMAR1ALDH1A1PKM

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
EP-0641789-B1 BENZOTHIADIAZINE DERIVATIVE TAIHO PHARMACEUTICAL CO LTD (JP) 1997-12-03 EP disclosed
US-5401739-A Benzothiadiazine derivatives TAIHO PHARMACEUTICAL CO. LTD. (JP) 1995-03-28 US disclosed
EP-0641789-A1 BENZOTHIADIAZINE DERIVATIVE TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1995-03-08 EP disclosed