SCHEMBL6472034

SCHEMBL6472034

O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc2c1c1cc(Cl)ccc1n2OCCc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 5/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CNR2 P34972 1/20 0.34
PPARG P37231 1/20 0.34
LMNA P02545 1/20 0.34
PTPN7 P35236 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
PLA2G4A P47712 2/20 0.34
PTGS2 P35354 1/20 0.33
CNR1 P21554 1/20 0.33

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 0.92 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL6532127 0.90 MAPT (0.39) ALDH1A1KMT2AMAPTRAB9AKDM4E
SCHEMBL6470833 0.82 MAPT (0.42) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL6470628 0.76 P2RX4 (0.41) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL5016446 0.75 PIK3R1 (0.46) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6471041 0.73 CYP11B2 (0.48)
SCHEMBL5017954 0.69 PIK3R1 (0.49) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL5026662 0.69 PIK3R1 (0.45) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6531788 0.68 PLA2G2A (0.42) MAPTPPARG
SCHEMBL5016430 0.68 GAA (0.43) ALDH1A1KMT2AMAPTMEN1KDM4E

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