SCHEMBL4733404

SCHEMBL4733404

C=CC(=O)Nc1c(Br)cc(Br)cc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 4/20 0.41
F13A1 P00488 1/20 0.41
LMNA P02545 1/20 0.41
TGM1 P22735 1/20 0.41
TGM3 Q08188 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
NR4A2 P43354 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
SCHEMBL11179193 0.82 TGM2 (0.53) TGM2F13A1LMNATGM1TGM3
SCHEMBL4734509 0.78 HSD17B10 (0.41) HSD17B10CA12CA1CA2CA7
Acrylamide SCHEMBL28343508 0.76 TGM2 (0.47) TGM2F13A1LMNATGM1TGM3
SCHEMBL4846741 0.75 HSD17B10 (0.39) HSD17B10ALDH1A1GAAKDM4EPOLB
SCHEMBL935778 0.71 HSD17B10 (0.49) HSD17B10CA12CA1CA2CA7
SCHEMBL17627594 0.71 AKR1C4 (0.60) LMNAHSD17B10CA12CA1CA2
SCHEMBL4734500 0.70 L3MBTL1 (0.50) ALDH1A1KDM4EPOLBHPGD
SCHEMBL3856537 0.70 ALDH1A1 (0.46) LMNAALDH1A1GAAPOLB
SCHEMBL4803910 0.70 ALDH1A1 (0.46) HSD17B10ALDH1A1GAAKDM4EPOLB
SCHEMBL3265331 0.70 CA12 (0.56) TGM2LMNAHSD17B10CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008069611-A1 N-PHENYLAMIDE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-06-12 WO disclosed