SCHEMBL6472032

SCHEMBL6472032

COc1ccc(CCOn2c3ccc(Cl)cc3c3c(C(=O)Oc4ccc([N+](=O)[O-])cc4)cccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS2 P35354 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
RAB9A P51151 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
PKM P14618 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 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
SCHEMBL6472034 0.92 ALDH1A1 (0.37) ALDH1A1MAPTKDM4ESMN1; SMN2PTGS2
SCHEMBL6470833 0.85 MAPT (0.42) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6532127 0.81 MAPT (0.39) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6471446 0.76 PIK3R1 (0.47) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL5017954 0.76 PIK3R1 (0.49) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL5026662 0.72 PIK3R1 (0.45) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL5016446 0.71 PIK3R1 (0.46) ALDH1A1MAPTKDM4EHPGDPTGS2
SCHEMBL5016430 0.71 GAA (0.43) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL6531788 0.68 PLA2G2A (0.42) MAPT
SCHEMBL6470974 0.68 PLA2G2A (0.44) ALDH1A1MAPTKDM4EKMT2APIK3R1

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