SCHEMBL23729550

SCHEMBL23729550

Cc1cc(C)c2c(c1)N(C)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
TNKS O95271 2/20 0.41
PARP1 P09874 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
UGT2B17 O75795 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALOX15 P16050 2/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23729552 0.94 TNKS (0.45) HRH3TNKSPARP1TNKS2UGT2B17
SCHEMBL14585663 0.88 TNKS (0.36) HRH3TNKSPARP1TNKS2UGT2B17
SCHEMBL20780397 0.76 HRH3 (0.41) HRH3TNKSPARP1TNKS2GAA
SCHEMBL19908532 0.74 HRH3 (0.37) HRH3GAAALDH1A1KDM4EALOX15
SCHEMBL23729376 0.72 ALDH1A1 (0.54) HRH3GAAALDH1A1KDM4ETSHR
SCHEMBL31261723 0.70 MEN1 (0.47) HRH3UGT2B17TSHRHTR2AHTR2C
SCHEMBL598081 0.70 MEN1 (0.47) HRH3UGT2B17TSHRHTR2AHTR2C
SCHEMBL14256038 0.69 ALDH1A1 (0.56) GAAALDH1A1KDM4ETSHRMAPT
SCHEMBL15338767 0.69 ALDH1A1 (0.40) HRH3TNKSPARP1TNKS2GAA
SCHEMBL5994114 0.68 NOTUM (0.51) GAAALDH1A1KDM4EMAPTHTT

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