SCHEMBL6533698

SCHEMBL6533698

COOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)c2c1c1ccccc1n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.43
MAPT P10636 7/20 0.41
MET P08581 1/20 0.40
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
AR P10275 2/20 0.38
RET P07949 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
F2RL3 Q96RI0 2/20 0.37
LMNA P02545 1/20 0.37
F2R P25116 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
MBD2 Q9UBB5 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL6470871 0.77 CD40 (0.39) TSPOMAPTALDH1A1RXFP1AR
SCHEMBL6531077 0.77 TUBB4A (0.43) TSPOMAPTMETALDH1A1PKM
SCHEMBL5026571 0.77 TUBB4A (0.43) TSPOMAPTMETALDH1A1PKM
SCHEMBL5026569 0.76 MAPT (0.47) MAPTMETALDH1A1PKMKMT2A
SCHEMBL4026837 0.66 MAPT (0.45) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL5022815 0.66 AR (0.50) ARKMT2AMEN1LMNAPOLB
SCHEMBL31348928 0.65 ALDH1A1 (0.48) TSPOMAPTMETALDH1A1RAB9A
SCHEMBL5016432 0.65 CDK2 (0.41) MAPTALDH1A1RXFP1KMT2AMEN1
SCHEMBL9488402 0.65 SLC6A3 (0.63) MAPTALDH1A1RXFP1ARKMT2A
SCHEMBL3879261 0.64 MAPT (0.50) TSPOMAPTMETALDH1A1PKM

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-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 WO disclosed