SCHEMBL22952984

SCHEMBL22952984

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.32
DRD1 P21728 2/20 0.32
PARP1 P09874 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KIF11 P52732 1/20 0.30

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
SCHEMBL22952988 0.85 DRD1 (0.33) DRD2DRD1PARP1HTR2CHTR2B
SCHEMBL22952989 0.82 PARP1 (0.43) PARP1HTR2AKIF11
SCHEMBL22953346 0.79 PARP1 (0.33) DRD2DRD1PARP1KIF11
SCHEMBL22952969 0.72 HTR2A (0.35) DRD2DRD1HTR2A
SCHEMBL22953343 0.66 PARP1 (0.41) DRD2DRD1PARP1KIF11
SCHEMBL22953345 0.64 DRD1 (0.34) DRD2DRD1PARP1HTR2BKIF11
SCHEMBL22953342 0.64 PARP1 (0.33) PARP1KIF11
SCHEMBL22952987 0.63 PARP1 (0.41) DRD1PARP1HTR2AHTR2CKIF11
SCHEMBL22953386 0.63 PARP1 (0.39) PARP1HTR2AKIF11

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