SCHEMBL22048165

SCHEMBL22048165

CCCOc1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 5/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 3/20 0.47
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RECQL P46063 3/20 0.47
LMNA P02545 2/20 0.47
S1PR4 O95977 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 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
SCHEMBL10207559 0.88 RAB9A (0.62) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1697621 0.88 MAPT (0.67) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL13490873 0.87 SMN1; SMN2 (0.56) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL3534158 0.87 RAB9A (0.56) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL28414075 0.87 SMN1; SMN2 (0.56) MAPTKMT2ASMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL514849 0.85 RAB9A (0.59) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1965344 0.84 RAB9A (0.53) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL7070030 0.83 MAPT (0.53) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL31487539 0.83 KMT2A (0.52) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL17132355 0.82 MAPT (0.59) MAPTKMT2ASMN1; SMN2RAB9ANPC1

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
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed