SCHEMBL6277649

SCHEMBL6277649

[O]CC(=O)NCc1ccccc1C(=O)NCCN1CCNC1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 3/20 0.65
LMNA P02545 1/20 0.65
CREBBP Q92793 1/20 0.53
KMT2A Q03164 2/20 0.52
RAB9A P51151 1/20 0.52
POLR1A O95602 1/20 0.49
ENPP2 Q13822 1/20 0.46
GPR52 Q9Y2T5 1/20 0.41
PLAT P00750 1/20 0.41
HPGDS O60760 1/20 0.41
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1402380 0.76 RAB9A (0.76) KDM4EALDH1A1LMNACREBBPKMT2A
SCHEMBL6264342 0.75 HPGD (0.49) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL1362247 0.71 KDM4E (0.50) KDM4EALDH1A1LMNACREBBPKMT2A
SCHEMBL14817956 0.71 KMT2A (0.76) KDM4EALDH1A1LMNACREBBPKMT2A
SCHEMBL17428293 0.70 KMT2A (0.58) KDM4EALDH1A1LMNACREBBPKMT2A
SCHEMBL6157584 0.70 KCNA5 (0.43) KMT2ARAB9APOLBMEN1
SCHEMBL28623961 0.70 CREBBP (1.00) KDM4EALDH1A1LMNACREBBPKMT2A
SCHEMBL20016690 0.69 KMT2A (0.57) KDM4EALDH1A1LMNACREBBPKMT2A
SCHEMBL20852069 0.69 KDM4E (0.58) KDM4EALDH1A1LMNACREBBPKMT2A
SCHEMBL12177839 0.69 RAB9A (0.61) KDM4EALDH1A1LMNACREBBPKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597245-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES AstraZeneca AB (SE) 2005-11-23 EP disclosed
WO-2004076430-A1 BENZOTHIAZEPINE AND BENZOTHIEPINE DERIVATIVES ASTRAZENECA AB (SE) 2004-09-10 WO disclosed