SCHEMBL6470833

SCHEMBL6470833

COn1c2ccc(Cl)cc2c2c(C(=O)Oc3ccc([N+](=O)[O-])cc3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 5/20 0.41
NR1H4 Q96RI1 1/20 0.40
PPARG P37231 1/20 0.40
MEN1 O00255 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTPN7 P35236 1/20 0.38
PTPN12 Q05209 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
FAAH O00519 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL6472032 0.85 ALDH1A1 (0.41) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6472034 0.82 ALDH1A1 (0.37) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL5016430 0.77 GAA (0.43) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL5026662 0.74 PIK3R1 (0.45) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL5017954 0.73 PIK3R1 (0.49) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6471446 0.73 PIK3R1 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL5016446 0.72 PIK3R1 (0.46) MAPTALDH1A1KDM4EHPGDKMT2A
SCHEMBL5018007 0.71 PLA2G2A (0.42) MAPTKMT2APPARGMEN1TP53
SCHEMBL6470974 0.71 PLA2G2A (0.44) MAPTALDH1A1KDM4EKMT2APPARG
SCHEMBL5018042 0.70 KMT2A (0.43) MAPTALDH1A1KDM4EGAASMN1; SMN2

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