SCHEMBL8319090

SCHEMBL8319090

Cc1c([N+](=O)[O-])c[nH]c1/C=C/C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 6/20 0.42
POLB P06746 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
PLA2G4A P47712 1/20 0.35
PTGES O14684 1/20 0.35
MAOB P27338 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL8319779 1.00 MAPT (0.46) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL8300965 0.84 POLB (0.41) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL5313843 0.76 KDM4E (0.42) MAPTALDH1A1TDP1KMT2AL3MBTL1
SCHEMBL2388710 0.71 TSHR (0.50) ALDH1A1POLBCYP2C9TDP1KMT2A
SCHEMBL16975425 0.69 MAPT (0.50) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL11109939 0.69 MAPT (0.71) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL16975422 0.69 MAPT (0.50) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL15709280 0.69 MAPT (0.71) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL11109921 0.69 MAPT (0.71) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL17847031 0.68 MAPT (0.53) MAPTALDH1A1POLBCYP2C9CYP2C19

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-0938474-A2 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-09-01 EP disclosed
WO-1998011101-A2 CONDENSED N-ACLYINDOLES AS ANTITUMOR AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-03-19 WO disclosed