SCHEMBL6350453

SCHEMBL6350453

Cc1ccc(S(=O)(=O)N2CCC(C(=O)O)=Cc3cc(-c4ccc(N5CCOCC5)cc4)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
MCL1 Q07820 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
AKT1 P31749 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39
TP53 P04637 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
SLC6A9 P48067 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
SCHEMBL6341415 0.89 MEN1 (0.44) MAPTUSP2SMN1; SMN2KMT2AMEN1
SCHEMBL6343445 0.86 TP53 (0.39) MAPTSMN1; SMN2PIK3CAMTORTP53
SCHEMBL6343365 0.79 CCR2 (0.63) POLB
SCHEMBL6341402 0.78 CYP11B1 (0.41) MAPTKMT2AMEN1RAB9ACYP11B1
SCHEMBL6343442 0.76 AOC3 (0.40) MAPTSMN1; SMN2KMT2AMEN1PIK3CA
SCHEMBL3498780 0.76 MAPT (0.34) MAPTMCL1KMT2AMEN1POLB
SCHEMBL6339599 0.76 TP53 (0.41) MAPTSMN1; SMN2KMT2AMEN1PIK3CA
SCHEMBL6341522 0.76 MAPT (0.38) MAPTUSP2SMN1; SMN2KMT2AMEN1
SCHEMBL31259518 0.73 MAPT (0.47) MAPTKMT2AMEN1POLBHTR6
SCHEMBL5205525 0.73 MCL1 (0.39) SMN1; SMN2MCL1RAB9ATP53CYP11B1

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
US-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 US disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 EP disclosed