SCHEMBL24317844

SCHEMBL24317844

CCc1cccc2[nH]cc(SC)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.39
HTR1D P28221 1/20 0.38
HTR2A P28223 9/20 0.37
GAA P10253 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
DNMT1 P26358 1/20 0.37
RECQL P46063 1/20 0.37
CASP6 P55212 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL28796113 0.83 GAA (0.56) GPR84HTR2AGAAHTR2CHTR2B
SCHEMBL29940979 0.83 GAA (0.56) GPR84HTR2AGAAHTR2CHTR2B
SCHEMBL9004442 0.80 GPR84 (0.59) GPR84FFAR1HTR2AGAAHTR2C
SCHEMBL10262953 0.75 GPR84 (0.58) GPR84FFAR1HTR2AGAAHTR2C
SCHEMBL21026823 0.75 IDO1 (0.56) GPR84FFAR1HTR1DGAAMEN1
SCHEMBL29952017 0.72 CYP2A6 (0.60) GPR84FFAR1HTR1DHTR2AHTR1A
SCHEMBL25075602 0.72 GPR84 (0.42) GPR84FFAR1HTR2AGAAHTR2C
SCHEMBL10615515 0.72 HTR2A (0.62) GPR84FFAR1HTR1DHTR2AHTR2C
SCHEMBL11611366 0.72 CLK1 (0.43) GAAMEN1ALDH1A1MAPTKMT2A
SCHEMBL29926495 0.71 IMPDH2 (0.47) GPR84FFAR1HTR1DHTR2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed