SCHEMBL23729375

SCHEMBL23729375

CCn1ccc2ccc(C)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
TNF P01375 6/20 0.40
DDR1 Q08345 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 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
SCHEMBL10273425 0.86 GRM2 (0.43) HTR2AHTR2CTNFCYP1A2LMNA
SCHEMBL21241821 0.82 TNF (0.43) HTR2AHTR2CTNFPSMB1PSMB5
SCHEMBL3517454 0.82 TNF (0.43) HTR2AHTR2CTNFPSMB1PSMB5
SCHEMBL31241139 0.81 PSMB1 (0.55) HTR2AHTR2CTNFDDR1PSMB1
SCHEMBL21241822 0.80 HTR2C (0.46) HTR2AHTR2CTNFHDAC3HDAC1
SCHEMBL13591316 0.80 POLB (0.51) LMNA
SCHEMBL26700308 0.79 PSMB1 (0.41) HTR2AHTR2CTNFDDR1PSMB1
SCHEMBL349421 0.77 CYP2A6 (0.42) CYP1A2CYP2A6
SCHEMBL29809320 0.77 TNF (0.55) TNFPSMB1PSMB5
SCHEMBL179072 0.77 TNF (0.55) TNFPSMB1PSMB5

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-2021155321-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed