SCHEMBL6987327

SCHEMBL6987327

CC(C(=O)OC(C)(C)C)c1c[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.50
FFAR1 O14842 2/20 0.50
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
NR4A2 P43354 1/20 0.43
CREBBP Q92793 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
NOD2 Q9HC29 1/20 0.43
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
PKM P14618 2/20 0.43
PBRM1 Q86U86 1/20 0.43

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
SCHEMBL6287774 0.86 KMT2A (0.47) GPR84FFAR1KMT2AMAPTMEN1
SCHEMBL6287782 0.86 MAPT (0.47) GPR84FFAR1KMT2AMAPTMEN1
SCHEMBL29800817 0.84 GPR84 (0.54) GPR84FFAR1KMT2AMAPTMEN1
SCHEMBL1327936 0.84 GPR84 (0.54) GPR84FFAR1KMT2AMAPTMEN1
SCHEMBL27939077 0.82 GPR84 (0.53) GPR84FFAR1KMT2AMAPTMEN1
Tert-Butyl Formate SCHEMBL27720203 0.82 NR4A2 (0.44) GPR84FFAR1KMT2AMAPTMEN1
SCHEMBL27665109 0.81 GPR84 (0.51) GPR84FFAR1KMT2AMAPTMEN1
SCHEMBL6190684 0.81 PKM (0.56) GPR84FFAR1KMT2AMAPTMEN1
SCHEMBL31458574 0.81 PKM (0.56) GPR84FFAR1KMT2AMAPTMEN1
SCHEMBL27576593 0.80 GPR84 (0.50) GPR84FFAR1KMT2AMAPTMEN1

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-1305313-A1 FUSED HETEROCYCLIC DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Lilly Icos LLC (US) 2003-05-02 EP disclosed
WO-2002010166-A1 FUSED HETEROCYCLIC DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS LILLY ICOS LLC (US) 2002-02-07 WO disclosed