SCHEMBL8305768

SCHEMBL8305768

Cc1cc([N+](=O)[O-])ccc1OCc1nccs1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 1/20 0.41
S1PR4 O95977 2/20 0.39
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KDR P35968 1/20 0.38
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL8305760 0.90 ALDH1A1 (0.43) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL2991924 0.85 MAPT (0.51) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL29151328 0.79 ALDH1A1 (0.47) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL6788264 0.78 LMNA (0.54) ALDH1A1KMT2AMAPTLMNAKDM4E
SCHEMBL8946550 0.77 ALDH1A1 (0.56) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL8310026 0.77 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ENPC1
SCHEMBL22381241 0.76 ALDH1A1 (0.58) ALDH1A1TDP1TSHRKMT2AMAPT
SCHEMBL6187801 0.75 KMT2A (0.51) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6068707 0.75 S1PR4 (0.44) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL30354907 0.75 EPHX2 (0.59) ALDH1A1TSHRKMT2AMEN1MAPT

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