SCHEMBL1965130

SCHEMBL1965130

Cc1ccnc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.75
ALDH1A1 P00352 4/20 0.62
HPGD P15428 2/20 0.62
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
MAPT P10636 2/20 0.60
POLB P06746 6/20 0.57
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
PKM P14618 2/20 0.53
CTDSP1 Q9GZU7 1/20 0.52
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
TSHR P16473 1/20 0.50

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
SCHEMBL1970416 0.83 NPC1 (0.63) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL1251440 0.79 KMT2A (0.65) LMNAALDH1A1HPGDKMT2AMEN1
SCHEMBL4251092 0.78 MAPT (0.70) LMNAALDH1A1HPGDKMT2AMEN1
SCHEMBL16318478 0.76 MAPT (0.67) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL16604283 0.76 NPC1 (0.76) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL8758479 0.75 LMNA (0.66) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL13085941 0.75 LMNA (0.66) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL1520310 0.75 NPC1 (0.65) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL1249138 0.74 KMT2A (0.63) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL8555112 0.74 NPC1 (0.72) ALDH1A1KMT2AMEN1MAPTPOLB

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