SCHEMBL8447012

SCHEMBL8447012

COc1ccc2c(c1)c(O)nn2Cc1ccc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
MCHR1 Q99705 1/20 0.42
AKR1B1 P15121 1/20 0.41
ALOX5AP P20292 3/20 0.41
PDE10A Q9Y233 1/20 0.40
CCR8 P51685 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 2/20 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
SCHEMBL7638939 0.88 CYSLTR1 (0.52) AKR1B1ALOX5APGPBAR1
Hydrochloric Acid SCHEMBL6151102 0.87 CYSLTR1 (0.51) AKR1B1ALOX5APGPBAR1
SCHEMBL8522120 0.84 AKR1B1 (0.45) MAPTKMT2AAKR1B1ALOX5APPDE10A
SCHEMBL8447799 0.82 FAAH (0.49) POLBNPSR1CYP1A2MAPTKMT2A
SCHEMBL8625863 0.80 PLA2G2A (0.53) POLBMAPTKMT2AMEN1L3MBTL1
SCHEMBL8521785 0.78 DRD4 (0.50) POLBNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL8448659 0.76 CNR1 (0.52) POLBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8450448 0.75 AKR1C3 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8446733 0.75 PLA2G2A (0.48) MAPTTP53
SCHEMBL8444643 0.74 SLC22A12 (0.48) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776932-A ANTIALLERGENS, ANTIASTHMATICS, ANTIINFLAMMATORY AGENTS AND MODULATORS ARZNEIMITTELWERK DRESDEN G.M.B.H. (DE) 1998-07-07 US 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