SCHEMBL9035103

SCHEMBL9035103

Cc1cccc([N+](=O)[O-])c1OC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.55
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 6/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 2/20 0.46
GPR35 Q9HC97 2/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL10432681 0.84 TDP1 (0.50) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL31576688 0.82 ALDH1A1 (0.51) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL27658438 0.81 HSPB1 (0.48) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL28119885 0.81 MAPT (0.50) TSHRSMN1; SMN2TDP1ALDH1A1GPR35
SCHEMBL15283229 0.81 TDP1 (0.44) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL4564308 0.80 TSHR (0.60) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL10422347 0.80 TSHR (0.60) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL2129871 0.80 ALDH1A1 (0.59) TSHRSMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL10432680 0.77 SMN1; SMN2 (0.45) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL104735 0.77 SCN4A (0.48) TSHRL3MBTL1ALDH1A1LMNANFKB1

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
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP claimed
US-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US claimed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP claimed
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP disclosed