SCHEMBL8044778

SCHEMBL8044778

Cc1ccccc1[N+](=O)[O-].[H+]

nearest known ligand 0.95

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.95
TSHR P16473 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
TDP1 Q9NUW8 6/20 0.60
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 7/20 0.54
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GPR35 Q9HC97 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 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
SCHEMBL26788 0.98 HSD17B10 (1.00) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL29859415 0.98 HSD17B10 (1.00) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
Water SCHEMBL28115600 0.95 HSD17B10 (0.95) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL11125458 0.95 HSD17B10 (0.95) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
Bromide SCHEMBL27330265 0.95 HSD17B10 (0.95) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL29289466 0.95 HSD17B10 (0.95) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
Bromide SCHEMBL28560244 0.95 HSD17B10 (0.95) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL8044782 0.95 HSD17B10 (0.95) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL9579917 0.95 HSD17B10 (0.95) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL27660568 0.95 HSD17B10 (0.95) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1861253-A Catalyst for fluidized bed gaseous hydrogenation of o-nitrotoluene to produce o-methylaniline and process therefor JIHUA GROUP CORP (CN) 2006-11-15 CN claimed
US-6080890-A CATALYTIC HYDROGENATION OF CORRESPONDING AROMATIC NITRO COMPOUNDS IN GAS PHASE IN THE PRESENCE OF CATALYSTS WHICH, BESIDES PALLADIUM, VANADIUM AND LEAD, CONTAIN MOLYBDENUM, TUNGSTEN AND/OR RHENIUM OR THEIR COMPOUNDS ON CERAMIC SUPPORT BAYER AKTIENGESELLSCHAFT (DE) 2000-06-27 US disclosed