SCHEMBL16601579

SCHEMBL16601579

Cc1ccc2c(c1)OC(C)(C)C(=O)N2CCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RECQL P46063 1/20 0.35
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NR3C2 P08235 1/20 0.35
DRD2 P14416 2/20 0.35
HTR6 P50406 2/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL13960945 0.86 MDM2 (0.35) MAPTALDH1A1RECQLBRD4KDM4E
SCHEMBL13367642 0.85 MAPT (0.39) MAPTHPGDTSHRNPSR1POLB
SCHEMBL16601598 0.85 ALDH1A1 (0.40) MAPTHPGDTSHRNPSR1POLB
SCHEMBL13340926 0.84 SLC9A1 (0.35) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL89089 0.82 MAPT (0.43) MAPTHPGDTSHRNPSR1POLB
SCHEMBL13367651 0.82 RXRA (0.43) MAPTHPGDTSHRNPSR1POLB
SCHEMBL15786429 0.82 REN (0.38) MAPTHPGDTSHRNPSR1POLB
SCHEMBL15161226 0.77 PDE3B (0.49) MAPTHPGDTSHRNPSR1POLB
SCHEMBL15786401 0.76 MAPT (0.40) MAPTHPGDTSHRNPSR1POLB
SCHEMBL13091047 0.74 ALDH1A1 (0.47) MAPTHPGDTSHRNPSR1POLB

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
US-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed