SCHEMBL8522968

SCHEMBL8522968

COc1ccc2c(c1)c(O)nn2Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 4/20 0.44
MCHR1 Q99705 1/20 0.42
EDNRA P25101 4/20 0.41
EDNRB P24530 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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 0.82 CYP1A2 (0.49) SMN1; SMN2MEN1ALDH1A1LMNAMAPT
SCHEMBL8446733 0.81 PLA2G2A (0.48) MAPT
SCHEMBL8448659 0.77 CNR1 (0.52) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL8444643 0.77 SLC22A12 (0.48) SLC22A12MEN1KMT2A
SCHEMBL8522107 0.77 CFD (0.40) MEN1KMT2A
SCHEMBL8447010 0.77 APLNR (0.47) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL8448874 0.77 MAPT (0.49) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL8310022 0.76 CCR2 (0.50) MEN1ALDH1A1LMNAMAPTTSHR
SCHEMBL6975318 0.76 CNR1 (0.48) BRS3MCHR1EDNRAEDNRBSLC6A4
SCHEMBL8627206 0.74 BUB1 (0.44) KDM4EALDH1A1MAPTKMT2A

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-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
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