SCHEMBL6973845

SCHEMBL6973845

Cc1cccc([N+](=O)[O-])c1Cc1ccc[c]c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 7/20 0.38
ENPP1 P22413 1/20 0.35
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
GPR35 Q9HC97 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL27855286 0.76 HSD17B10 (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL58862 0.74 MEN1 (0.36) TSHRSMN1; SMN2HSD17B10TDP1MEN1
SCHEMBL10806991 0.74 TSHR (0.51) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL10799700 0.74 TSHR (0.51) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL455622 0.74 ALDH1A1 (0.48) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL2201783 0.73 POLB (0.50) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10106284 0.72 TSHR (0.62) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL27611660 0.72 HSD17B10 (0.56) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL6973848 0.72 TSHR (0.43) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL33832 0.72 TDP1 (0.46) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218343-A4 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2003-06-18 EP claimed
EP-1218343-A1 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-07-03 EP claimed
WO-2001025203-A1 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-12 WO claimed