SCHEMBL16199736

SCHEMBL16199736

NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N(N)c4ccc(Br)cc4)ccc3[nH]2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EIF2AK2 P19525 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
MCL1 Q07820 1/20 0.31
PRSS12 P56730 1/20 0.30
HDAC1 Q13547 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30

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
SCHEMBL13190111 0.72 PTGES (0.42) MAPTKDM4EKMT2AHPGDMEN1
SCHEMBL16199740 0.71 NR2E3 (0.37) MAPTKDM4EKMT2AHPGDMEN1
SCHEMBL9899450 0.70 MAP2K7 (0.41) MAPTSMN1; SMN2HTT
SCHEMBL13190105 0.69 PTGES (0.40) MAPTKDM4EKMT2AHPGDMEN1
SCHEMBL13190114 0.69 PTGES (0.39) MAPTKDM4EKMT2AHPGDMEN1
SCHEMBL1968399 0.68 POLB (0.58) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL13190116 0.68 MAPT (0.39) MAPTKDM4EKMT2AHPGDMEN1
SCHEMBL11962208 0.68 PTGES (0.41) MAPTKDM4EKMT2AHPGDMEN1
SCHEMBL1725936 0.68 CYP4F2 (0.42) MAPTKMT2AHPGDTDP1HDAC11
SCHEMBL13189730 0.68 PTGES (0.38) MAPTKDM4EKMT2AHPGDMEN1

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