SCHEMBL6600482

SCHEMBL6600482

CCOC(=O)/C=C1/CCCN(S(=O)(=O)c2ccc(C)cc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 5/20 0.49
KCNN4 O15554 1/20 0.45
KCNA3 P22001 1/20 0.45
MAPT P10636 5/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL6600485 1.00 KMT2A (0.49) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6605034 0.86 KMT2A (0.51) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6605044 0.86 KMT2A (0.51) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6600501 0.82 KMT2A (0.46) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6600502 0.82 KMT2A (0.46) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6602030 0.77 KCNN4 (0.48) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6602025 0.77 KCNN4 (0.48) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL1495922 0.75 KCNN4 (0.64) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6329164 0.75 ALDH1A1 (0.42) KMT2AMAPTTSHRLMNANPC1
SCHEMBL1495972 0.75 KMT2A (0.47) KMT2AMEN1KCNN4KCNA3MAPT

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-0877736-B1 BENZAZEPINE DERIVATIVES WITH VASOPRESSIN AGONISTIC ACTIVITY OTSUKA PHARMA CO LTD (JP) 2004-04-21 EP disclosed
US-6096736-A Benzazepine derivatives with vasopressin agonistic activity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed