SCHEMBL22952988

SCHEMBL22952988

Cc1cc(O)c2c3c1Cc1c(cc(Cl)c(O)c1O)C3CNC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 7/20 0.33
DRD2 P14416 4/20 0.33
KDM4E B2RXH2 5/20 0.32
RECQL P46063 4/20 0.32
BLM P54132 3/20 0.32
DRD5 P21918 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
NFKB1 P19838 2/20 0.32
THPO P40225 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
PKM P14618 1/20 0.32
MTOR P42345 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL22952985 0.85 PARP1 (0.32) DRD1PARP1KIF11
SCHEMBL22952984 0.85 DRD2 (0.32) DRD1DRD2HTR2BPARP1HTR2C
SCHEMBL22952989 0.82 PARP1 (0.43) KDM4ECYP3A4NFKB1THPOHSD17B10
SCHEMBL22953345 0.79 DRD1 (0.34) DRD1DRD2KDM4ERECQLBLM
SCHEMBL22952978 0.75 DRD1 (0.34) DRD1DRD2DRD5SLC6A2SLC6A4
SCHEMBL22953385 0.72 DRD1 (0.36) DRD1DRD2KDM4ERECQLBLM
SCHEMBL22953387 0.71 DRD1 (0.35) DRD1DRD2DRD5SLC6A4
SCHEMBL22953343 0.66 PARP1 (0.41) DRD1DRD2KDM4ERECQLCYP3A4
SCHEMBL22953346 0.64 PARP1 (0.33) DRD1DRD2PARP1KIF11
SCHEMBL22953386 0.63 PARP1 (0.39) PARP1KIF11

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-2021021922-A1 COMPOUNDS AND METHODS FOR TREATING FIBROTIC PATHOLOGIES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2021-02-04 WO disclosed