SCHEMBL6470974

SCHEMBL6470974

O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc2c1c1cc(OCCl)ccc1n2Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.44
P2RX4 Q99571 1/20 0.43
MAPT P10636 4/20 0.41
PPARG P37231 1/20 0.41
P2RX7 Q99572 1/20 0.41
AR P10275 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MITF O75030 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6531788 0.93 PLA2G2A (0.42) PLA2G2AP2RX4MAPTPPARGP2RX7
SCHEMBL6470628 0.92 P2RX4 (0.41) PLA2G2AP2RX4MAPTPPARGP2RX7
SCHEMBL6471446 0.92 PIK3R1 (0.47) PLA2G2AP2RX4MAPTP2RX7PIK3R1
SCHEMBL6471021 0.84 AR (0.39) PLA2G2AMAPTPPARGP2RX7AR
SCHEMBL6472462 0.75 PLA2G2A (0.48) PLA2G2A
SCHEMBL5018007 0.75 PLA2G2A (0.42) PLA2G2AMAPTPPARGARPIK3R1
SCHEMBL5023371 0.74 AR (0.43) PLA2G2AP2RX4MAPTPPARGAR
SCHEMBL5026662 0.74 PIK3R1 (0.45) PLA2G2AMAPTARPIK3R1PIK3CA
SCHEMBL5022811 0.74 MAPT (0.45) PLA2G2AP2RX4MAPTPPARGP2RX7
SCHEMBL6471402 0.73 PDE4B (0.44) PLA2G2A

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