SCHEMBL1966157

SCHEMBL1966157

Cc1nc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)sc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.56
NPC1 O15118 8/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
MAPT P10636 3/20 0.56
PKM P14618 1/20 0.54
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 2/20 0.48
POLB P06746 3/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
MCL1 Q07820 1/20 0.47
SCD O00767 3/20 0.46

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
SCHEMBL1969659 0.84 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL1251440 0.78 KMT2A (0.65) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL4286261 0.77 RAB9A (0.73) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL31665238 0.76 SMN1; SMN2 (0.54) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL10960186 0.76 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL25143337 0.75 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL5799657 0.75 MAPT (0.66) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL31665465 0.75 MAPT (0.56) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL31665255 0.74 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL2754020 0.74 NPC1 (0.77) RAB9ANPC1SMN1; SMN2MAPTPKM

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