SCHEMBL1964514

SCHEMBL1964514

Nc1cc(Cl)c(C(=O)Nc2ccc(Br)cc2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
CYP1A2 P05177 1/20 0.51
LCK P06239 1/20 0.51
CYP2C9 P11712 1/20 0.51
PTGS1 P23219 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
MAPK14 Q16539 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 1/20 0.49

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
SCHEMBL1968292 0.84 KMT2A (0.50) ENPP2NPC1RAB9AKMT2AMEN1
SCHEMBL1671998 0.83 KMT2A (0.56) ENPP2NPC1RAB9AKMT2AMEN1
SCHEMBL6593023 0.80 FADS1 (0.67) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL1753321 0.79 JAK2 (0.68) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL11857282 0.79 JAK2 (0.56) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL11842224 0.79 JAK2 (0.52) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5925259 0.79 MAPT (0.59) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL15091807 0.78 JAK2 (0.62) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL1726342 0.78 ALDH1A1 (0.63) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL15361780 0.77 NPC1 (0.58) NPC1RAB9AKMT2AMEN1LMNA

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-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed