SCHEMBL6600501

SCHEMBL6600501

Cc1ccc(S(=O)(=O)N2CCC/C(=C\C(=O)NC(C)C)c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNN4 O15554 1/20 0.45
KCNA3 P22001 1/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
NR3C1 P04150 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RORC P51449 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL6600502 1.00 KMT2A (0.46) KMT2AMEN1SMN1; SMN2KCNN4KCNA3
SCHEMBL6605044 0.86 KMT2A (0.51) KMT2AMEN1SMN1; SMN2KCNN4KCNA3
SCHEMBL6605034 0.86 KMT2A (0.51) KMT2AMEN1SMN1; SMN2KCNN4KCNA3
SCHEMBL6602025 0.83 KCNN4 (0.48) KMT2AMEN1SMN1; SMN2KCNN4KCNA3
SCHEMBL6602030 0.83 KCNN4 (0.48) KMT2AMEN1SMN1; SMN2KCNN4KCNA3
SCHEMBL6600482 0.82 KMT2A (0.49) KMT2AMEN1SMN1; SMN2KCNN4KCNA3
SCHEMBL6600485 0.82 KMT2A (0.49) KMT2AMEN1SMN1; SMN2KCNN4KCNA3
SCHEMBL1495922 0.75 KCNN4 (0.64) KMT2AMEN1SMN1; SMN2KCNN4KCNA3
SCHEMBL6601416 0.73 KCNN4 (0.44) KMT2AMEN1SMN1; SMN2KCNN4KCNA3
SCHEMBL6369328 0.72 CYP3A4 (0.62) KMT2AMEN1SMN1; SMN2KCNN4KCNA3

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