SCHEMBL1968292

SCHEMBL1968292

Nc1cc(Cl)c(C(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
MAPT P10636 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MAPK1 P28482 4/20 0.47
PKM P14618 2/20 0.47
CYP3A4 P08684 2/20 0.47
PPARG P37231 2/20 0.47
LMNA P02545 2/20 0.47
RORC P51449 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
PMP22 Q01453 1/20 0.47

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
SCHEMBL1964514 0.84 ENPP2 (0.53) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL1725338 0.82 ALDH1A1 (0.53) KMT2AMEN1MAPTSMN1; SMN2CYP3A4
SCHEMBL6594872 0.78 P2RX1 (0.58) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL13086025 0.77 ALDH1A1 (0.47) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL2927223 0.77 KMT2A (0.48) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL2931591 0.77 HSD11B1 (0.54) KMT2AMEN1MAPTPPARGLMNA
SCHEMBL2927703 0.77 NPC1 (0.60) MAPK1RAB9ANPC1
SCHEMBL2927215 0.77 HPGD (0.55) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL1455196 0.75 KMT2A (0.73) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL18146208 0.74 MDM2 (0.55) KMT2AMEN1MAPTSMN1; SMN2MAPK1

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