SCHEMBL16199740

SCHEMBL16199740

N#CC1(C(=O)N(N)Cc2ccc(Cl)c(Nc3nc4cc(C(=O)Nc5ccc(Br)cc5)ccc4[nH]3)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E3 Q9Y5X4 1/20 0.37
MAPT P10636 6/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
PTGES O14684 1/20 0.33
CTNNB1 P35222 3/20 0.33
TCF7L2 Q9NQB0 3/20 0.33
MLLT1 Q03111 1/20 0.33
KDR P35968 1/20 0.33
HTT P42858 2/20 0.32
NPC1 O15118 3/20 0.32

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
SCHEMBL13189710 0.79 CTNNB1 (0.41) NR2E3MAPTKMT2AMEN1ALDH1A1
SCHEMBL13190105 0.79 PTGES (0.40) NR2E3MAPTKMT2AMEN1ALDH1A1
SCHEMBL11962208 0.79 PTGES (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL13190114 0.78 PTGES (0.39) NR2E3MAPTKMT2AMEN1ALDH1A1
SCHEMBL13190111 0.78 PTGES (0.42) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL13190116 0.77 MAPT (0.39) NR2E3MAPTKMT2AMEN1ALDH1A1
SCHEMBL13189730 0.77 PTGES (0.38) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL13189727 0.77 MAPT (0.42) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL13189698 0.76 MAPT (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL16199767 0.74 LPAR2 (0.44) MAPTKMT2AMEN1ALDH1A1LMNA

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
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed