SCHEMBL8522311

SCHEMBL8522311

COc1ccc2c(c1)c(O)nn2Cc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MAPT P10636 7/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
PMP22 Q01453 3/20 0.39
HIF1A Q16665 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
PKM P14618 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
RGS12 O14924 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
GNAI1 P63096 1/20 0.39
CFTR P13569 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
SCHEMBL8449970 0.84 CYP1A2 (0.49) MAPTLMNAALDH1A1CYP1A2CYP2C9
SCHEMBL8448901 0.81 ACHE (0.43) MAPTMEN1KMT2APKMCFTR
SCHEMBL8448874 0.79 MAPT (0.49) MAPTLMNAALDH1A1CYP1A2CYP2C9
SCHEMBL8447010 0.77 APLNR (0.47) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL8446733 0.76 PLA2G2A (0.48) MAPTTP53PLA2G2A
SCHEMBL6972205 0.76 MAPT (0.56) MAPTKMT2ASMN1; SMN2PLA2G2A
SCHEMBL8445591 0.75 CYP2D6 (0.50) MAPTLMNAALDH1A1CYP1A2CYP2C9
SCHEMBL8443748 0.75 PLA2G2A (0.52) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL8448659 0.75 CNR1 (0.52) MAPTLMNAALDH1A1CYP1A2CYP2C9
SCHEMBL8628466 0.74 CHRM1 (0.46) LMNAPKMTP53AKR1C3AKR1C2

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