SCHEMBL7702363

SCHEMBL7702363

CS(=O)(=O)c1cccc(C2c3ccccc3CCN2C=CC=O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.40
DRD2 P14416 3/20 0.39
SIGMAR1 Q99720 1/20 0.38
DRD1 P21728 1/20 0.38
AKR1C3 P42330 1/20 0.37
DRD3 P35462 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
HHAT Q5VTY9 2/20 0.34

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
SCHEMBL7699731 0.88 PRCP (0.42) PRCPHHAT
SCHEMBL7701133 0.82 PRCP (0.54) PRCPHDAC3HDAC1HDAC2HDAC8
SCHEMBL7702539 0.78 PRCP (0.46) PRCPCA1CA2CA9CA14
SCHEMBL7698116 0.76 TRPM8 (0.45) PRCPHDAC3HDAC1HDAC2HDAC8
SCHEMBL7704956 0.76 CHRM3 (0.47) PRCPSIGMAR1CA1CA2CA9
SCHEMBL7697965 0.75 PRCP (0.43) PRCPHDAC3HDAC1HDAC2HDAC8
SCHEMBL7705909 0.75 CYP19A1 (0.44) PRCPHDAC8
SCHEMBL7697839 0.75 PRCP (0.43) PRCPHDAC3HDAC1HDAC2HDAC8
SCHEMBL7699278 0.75 HDAC1 (0.51) PRCPSIGMAR1DRD1CA1CA2
SCHEMBL7703888 0.75 PRCP (0.39) PRCPHDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed