SCHEMBL7236261

SCHEMBL7236261

CC(=O)Nc1ccccc1CBr

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.51
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
BRD4 O60885 1/20 0.46
HSD17B10 Q99714 2/20 0.45
NAPRT Q6XQN6 1/20 0.45
MAOA P21397 1/20 0.45
TSPO P30536 1/20 0.44

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
SCHEMBL1644965 0.84 MAPK1 (0.59) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL5101721 0.83 ALDH1A1 (0.53) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL3530917 0.82 L3MBTL1 (0.49) ALDH1A1HPGDHTTPOLBCYP2C19
SCHEMBL3150784 0.82 ALDH1A1 (0.59) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL7055476 0.82 ALDH1A1 (0.57) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL30168125 0.82 ALDH1A1 (0.59) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL963475 0.82 KDM4E (0.47) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL7209100 0.81 HPGD (0.46) ALDH1A1HPGDSMN1; SMN2HTTPOLB
SCHEMBL1404979 0.81 ALDH1A1 (0.54) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2
SCHEMBL6475322 0.81 ALDH1A1 (0.55) ALDH1A1HPGDMAPK1TSHRSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
EP-0975624-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998046590-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-22 WO disclosed