SCHEMBL8448901

SCHEMBL8448901

COc1ccc2c(c1)c(O)nn2Cc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.43
CNR2 P34972 4/20 0.43
CNR1 P21554 3/20 0.43
ELANE P08246 2/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
PIK3R1 P27986 2/20 0.41
PIK3CA P42336 2/20 0.41
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
CTRB1 P17538 1/20 0.41
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
PLA2G2A P14555 1/20 0.40
CFTR P13569 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6972205 0.84 MAPT (0.56) ACHECNR2CNR1ELANEKMT2A
SCHEMBL8522311 0.81 MTNR1A (0.41) MEN1KMT2ARAB9AMAPTPOLB
SCHEMBL6973555 0.80 ACHE (0.48) ACHECNR2CNR1MEN1KMT2A
SCHEMBL8444741 0.80 KCNJ1 (0.53) ACHECNR2CNR1MEN1NPC1
SCHEMBL8447010 0.78 APLNR (0.47) MEN1NPC1KMT2ARAB9AMAPT
SCHEMBL8628466 0.75 CHRM1 (0.46) ELANEPKM
SCHEMBL8445591 0.75 CYP2D6 (0.50) ACHECNR2CNR1MEN1NPC1
SCHEMBL8449970 0.74 CYP1A2 (0.49) MEN1NPC1KMT2ARAB9AMAPT
SCHEMBL8448659 0.74 CNR1 (0.52) CNR2CNR1MEN1KMT2AMAPT
SCHEMBL7805412 0.74 CNR2 (0.57) ACHECNR2CNR1MEN1KMT2A

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