SCHEMBL6852838

SCHEMBL6852838

Cc1c[nH]nc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
GAA P10253 3/20 0.47
MGAM O43451 2/20 0.47
SI P14410 2/20 0.47
MGAM2 Q2M2H8 2/20 0.47
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ALPL P05186 1/20 0.43
HPGD P15428 4/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.42
HSD11B1 P28845 1/20 0.42
MAOB P27338 1/20 0.41
GFER P55789 2/20 0.40

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
SCHEMBL8757316 0.84 ALDH1A1 (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3654803 0.80 ALDH1A1 (0.62) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11620981 0.76 DCUN1D1 (0.44) GAAALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL27260167 0.74 ALDH1A1 (0.57) HSD17B10GAAALDH1A1TDP1KMT2A
SCHEMBL16799501 0.74 MEN1 (0.48) HSD17B10GAAMGAMSIMGAM2
SCHEMBL6846876 0.73 KMT2A (0.44) HSD17B10GAAMGAMSIMGAM2
SCHEMBL3170513 0.72 DHFR (0.38) HSD17B10GAAKMT2AMEN1LMNA
SCHEMBL30564320 0.72 HSD17B10 (0.69) HSD17B10GAAMGAMSIMGAM2
SCHEMBL2360248 0.72 HSD17B10 (0.69) HSD17B10GAAMGAMSIMGAM2
SCHEMBL17785663 0.72 TDP1 (0.42) HSD17B10GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1154637-C Method for producing substituted pyrazoles �����ɷ� 2004-06-23 CN disclosed
EP-1021416-B1 METHOD FOR PRODUCING SUBSTITUTED PYRAZOLES BASF AG (DE) 2004-05-19 EP disclosed
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 EP disclosed
US-6229022-B1 REACTING CARBONYL COMPOUNDS WITH HYDRAZINE, ITS HYDRATE OR SALTS IN THE PRESENCE OF SULFURIC ACID AND IODINE OR AN IODINE LIBERATING COMPOUND BASF AKTIENGESELLSCHAFT (DE) 2001-05-08 US disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 WO disclosed
EP-1021416-A1 METHOD FOR PRODUCING SUBSTITUTED PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 2000-07-26 EP disclosed
CN-1261351-A Process for preparing substituted pyrazoles BASF AG (DE) 2000-07-26 CN disclosed
WO-1998058914-A1 METHOD FOR PRODUCING SUBSTITUTED PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-12-30 WO disclosed