SCHEMBL7939736

SCHEMBL7939736

Cc1ccccc1-c1cccc([N+](=O)[O-])c1C

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
TDP1 Q9NUW8 5/20 0.64
HSD17B10 Q99714 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 2/20 0.50
KLK3 P07288 1/20 0.49
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
S100A4 P26447 2/20 0.47
PTPRC P08575 1/20 0.47
POLB P06746 1/20 0.45
GPR35 Q9HC97 1/20 0.44

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
SCHEMBL9550119 0.90 TDP1 (0.78) TSHRSMN1; SMN2TDP1HSD17B10L3MBTL1
SCHEMBL2360248 0.86 HSD17B10 (0.69) TSHRSMN1; SMN2TDP1HSD17B10L3MBTL1
SCHEMBL30564320 0.86 HSD17B10 (0.69) TSHRSMN1; SMN2TDP1HSD17B10L3MBTL1
SCHEMBL29538967 0.82 TSHR (1.00) TSHRSMN1; SMN2TDP1HSD17B10L3MBTL1
SCHEMBL700469 0.82 TSHR (1.00) TSHRSMN1; SMN2TDP1HSD17B10L3MBTL1
SCHEMBL28313474 0.82 TSHR (1.00) TSHRSMN1; SMN2TDP1HSD17B10L3MBTL1
SCHEMBL5157627 0.81 TDP1 (0.69) TSHRSMN1; SMN2TDP1HSD17B10L3MBTL1
SCHEMBL19608973 0.81 HSD17B10 (0.62) TSHRSMN1; SMN2TDP1HSD17B10L3MBTL1
SCHEMBL29114945 0.81 TSHR (0.56) TSHRSMN1; SMN2TDP1HSD17B10L3MBTL1
Ammonia Solution, Strong SCHEMBL27413840 0.80 TSHR (0.96) TSHRSMN1; SMN2TDP1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265606-B1 TO CONTROL A BROAD SPECTRUM OF UNDESIRABLE VEGETATION, ARE SELECTIVE TO MAJOR CROPS, HAVE DESIRABLE ENVIRONMENTAL PROFILES, DOW AGROSCIENCES LLC 2001-07-24 US disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 US disclosed
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed