SCHEMBL6605034

SCHEMBL6605034

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
KCNN4 O15554 1/20 0.49
KCNA3 P22001 1/20 0.49
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
MCL1 Q07820 1/20 0.44
NR3C1 P04150 1/20 0.44
RORC P51449 1/20 0.43
AKR1C3 P42330 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD11B1 P28845 1/20 0.43

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
SCHEMBL6605044 1.00 KMT2A (0.51) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6600482 0.86 KMT2A (0.49) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6600502 0.86 KMT2A (0.46) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6600501 0.86 KMT2A (0.46) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6600485 0.86 KMT2A (0.49) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6602030 0.81 KCNN4 (0.48) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL6602025 0.81 KCNN4 (0.48) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL1495922 0.79 KCNN4 (0.64) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL7678153 0.77 KCNN4 (0.46) KMT2AMEN1KCNN4KCNA3MAPT
SCHEMBL7678157 0.77 KCNN4 (0.46) 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