SCHEMBL14138486

SCHEMBL14138486

CCCCOc1cc([N+](=O)[O-])c(C(=O)OCc2ccccc2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK1 P28482 1/20 0.55
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
MAPT P10636 2/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 1/20 0.41
PDE1C Q14123 1/20 0.41
WDR5 P61964 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL12310509 0.88 ALDH1A1 (0.54) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL15314942 0.84 ALDH1A1 (0.50) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL8381526 0.84 L3MBTL1 (0.58) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL17931005 0.81 AKR1C3 (0.51) ALDH1A1TDP1CYP3A4MAPK1AKR1C3
SCHEMBL28503829 0.81 L3MBTL1 (0.50) L3MBTL1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL20897393 0.81 CTSV (0.52) L3MBTL1ALDH1A1TDP1MAPTKMT2A
SCHEMBL29172544 0.79 MEN1 (0.48) L3MBTL1ALDH1A1MAPTKMT2AMEN1
SCHEMBL10102460 0.78 ALDH1A1 (0.46) L3MBTL1ALDH1A1TDP1MAPTKMT2A
SCHEMBL2089147 0.78 MEN1 (0.54) L3MBTL1ALDH1A1MAPTKMT2AMEN1
SCHEMBL874114 0.78 MEN1 (0.54) L3MBTL1ALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315715-B1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2008-07-23 EP disclosed