SCHEMBL3407682

SCHEMBL3407682

CC(=O)Nc1[c]ccc(CCNC(=O)NN)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.40
BLM P54132 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.38
F13A1 P00488 1/20 0.37
CNR1 P21554 5/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RAF1 P04049 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL6937148 0.75 MAOA (0.40) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL16457166 0.74 EPHX1 (0.46) KDM4EMAPTLMNAKMT2AF13A1
SCHEMBL1661397 0.69 KDM4E (0.54) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL7068909 0.69 ALDH1A1 (0.49) MAPTALDH1A1LMNAHSD17B10KMT2A
SCHEMBL30252290 0.68 MAPT (0.66) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL11754501 0.67 ALDH1A1 (0.47) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL4696811 0.67 HSD17B10 (0.47) MAPTALDH1A1LMNAHPGDHSD17B10
SCHEMBL7841883 0.67 ALDH1A1 (0.47) KDM4EMAPTALDH1A1LMNAHSD17B10
SCHEMBL5782916 0.66 ALDH1A1 (0.42) ALDH1A1HSD17B10KMT2ASMN1; SMN2
SCHEMBL5782169 0.66 DYRK1A (0.43) MAPTALDH1A1LMNAHSD17B10CA1

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-2252604-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2010-11-24 EP claimed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 WO claimed