SCHEMBL6350680

SCHEMBL6350680

CCCN1CCC(C(=O)O)=Cc2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
CASP7 P55210 1/20 0.40
SMAD3 P84022 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GFER P55789 1/20 0.37
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL6516859 0.93 KMT2A (0.46) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL6516854 0.93 KMT2A (0.46) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL6352550 0.87 HRH2 (0.39) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL7541560 0.87 ALDH1A1 (0.36) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL6344211 0.87 LMNA (0.40) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL7547077 0.86 ALDH1A1 (0.40) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL6516899 0.85 LMNA (0.45) LMNAMEN1KMT2APMP22NPSR1
SCHEMBL6343215 0.84 GABRA1 (0.38) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5240544 0.83 MYC (0.39) LMNAALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL5204621 0.82 MYC (0.38) LMNAALDH1A1MEN1KMT2AMAPT

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