SCHEMBL6601416

SCHEMBL6601416

Cc1ccc(S(=O)(=O)N2CCC=C(CC(=O)NC(C)C)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.44
KCNA3 P22001 1/20 0.44
MAPT P10636 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RORC P51449 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL6600815 0.85 KCNN4 (0.49) KCNN4KCNA3MAPTMEN1KMT2A
SCHEMBL6600502 0.73 KMT2A (0.46) KCNN4KCNA3MAPTMEN1KMT2A
SCHEMBL6600501 0.73 KMT2A (0.46) KCNN4KCNA3MAPTMEN1KMT2A
SCHEMBL6601856 0.72 AVPR2 (0.49) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL6600378 0.72 AVPR2 (0.49) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL8673817 0.72 KCNN4 (0.53) KCNN4KCNA3MAPTTP53SMN1; SMN2
SCHEMBL6369328 0.68 CYP3A4 (0.62) KCNN4KCNA3MAPTMEN1KMT2A
SCHEMBL6602025 0.68 KCNN4 (0.48) KCNN4KCNA3MAPTMEN1KMT2A
SCHEMBL6602030 0.68 KCNN4 (0.48) KCNN4KCNA3MAPTMEN1KMT2A
SCHEMBL1495922 0.67 KCNN4 (0.64) KCNN4KCNA3MAPTMEN1KMT2A

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