SCHEMBL6176885

SCHEMBL6176885

[NH]C(=O)OCc1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MMP1 P03956 1/20 0.49
IDO1 P14902 2/20 0.48
MEN1 O00255 3/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
SMPD1 P17405 1/20 0.44
TP53 P04637 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
SCHEMBL10987302 0.81 KDM4E (0.56) KMT2AKDM4EMAPTHPGDALDH1A1
SCHEMBL8845407 0.81 KDM4E (0.56) KMT2AKDM4EMAPTHPGDALDH1A1
SCHEMBL19020082 0.79 MAPT (0.55) KMT2AKDM4EMAPTHPGDALDH1A1
SCHEMBL3124719 0.79 ALDH1A1 (0.64) KMT2AKDM4EMAPTHPGDALDH1A1
SCHEMBL156163 0.79 KMT2A (0.54) KMT2AKDM4EMAPTHPGDALDH1A1
SCHEMBL4330946 0.79 ALDH1A1 (0.64) KMT2AKDM4EMAPTHPGDALDH1A1
SCHEMBL498363 0.79 ALDH1A1 (0.49) KMT2AMAPTALDH1A1MMP1IDO1
SCHEMBL2297633 0.79 MMP2 (0.49) MAPTALDH1A1MMP1MAOB
SCHEMBL7501972 0.79 MMP1 (0.49) KMT2AKDM4EMAPTMMP1IDO1
SCHEMBL1696 0.78 ALDH1A1 (0.63) KMT2AALDH1A1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
EP-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed