SCHEMBL8444741

SCHEMBL8444741

COc1ccc2c(c1)c(O)nn2CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.53
KCNH2 Q12809 1/20 0.53
CNR2 P34972 4/20 0.51
ACHE P22303 3/20 0.51
CNR1 P21554 3/20 0.51
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46
MAPT P10636 5/20 0.45
HTR2A P28223 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PTPN11 Q06124 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
THRB P10828 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL6973555 0.87 ACHE (0.48) CNR2ACHECNR1PIK3R1PIK3CA
SCHEMBL6972205 0.80 MAPT (0.56) CNR2ACHECNR1PIK3R1PIK3CA
SCHEMBL8448901 0.80 ACHE (0.43) CNR2ACHECNR1RAB9ANPC1
SCHEMBL8627812 0.77 GABRA1 (0.48) ACHEKMT2AMEN1
SCHEMBL8521495 0.76 PLA2G2A (0.51) MAPTHTR2AALDH1A1KMT2AMEN1
SCHEMBL8624583 0.75 HRH1 (0.46) ALDH1A1KMT2AMEN1
SCHEMBL8448659 0.75 CNR1 (0.52) CNR2CNR1MAPTALDH1A1KMT2A
SCHEMBL8448874 0.72 MAPT (0.49) CNR2ACHECNR1MAPTALDH1A1
SCHEMBL8522311 0.72 MTNR1A (0.41) RAB9AMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL8522667 0.71 PTGER4 (0.58) RAB9ANPC1SMN1; SMN2LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888307-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-01-07 EP claimed
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US claimed
WO-1997034874-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1997-09-25 WO claimed
EP-0888307-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-01-07 EP disclosed
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US disclosed
WO-1997034874-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1997-09-25 WO disclosed