SCHEMBL8305760

SCHEMBL8305760

Cc1ccc([N+](=O)[O-])cc1OCc1nccs1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP19A1 P11511 7/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL8305768 0.90 ALDH1A1 (0.43) ALDH1A1TSHRTDP1CYP19A1CYP11B1
SCHEMBL2991924 0.82 MAPT (0.51) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL6788264 0.78 LMNA (0.54) ALDH1A1MAPTKMT2AKDM4ELMNA
SCHEMBL29739542 0.77 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP19A1MAPT
SCHEMBL1979913 0.77 ALDH1A1 (0.56) ALDH1A1TSHRTDP1CYP19A1MAPT
SCHEMBL8310019 0.77 ALDH1A1 (0.51) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL6187792 0.75 ALDH1A1 (0.54) ALDH1A1CYP19A1CYP11B1CYP11B2MAPT
SCHEMBL29503009 0.74 MEN1 (0.65) ALDH1A1TSHRTDP1CYP19A1CYP11B1
SCHEMBL5226904 0.74 MEN1 (0.65) ALDH1A1TSHRTDP1CYP19A1CYP11B1
SCHEMBL9995366 0.71 ALDH1A1 (0.50) ALDH1A1TSHRTDP1CYP19A1MAPT

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-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed