SCHEMBL4749352

SCHEMBL4749352

Cc1cc(C)c(NCCNC(C)c2ccccc2O)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 2/20 0.36
KMT2A Q03164 3/20 0.36
MAPKAPK2 P49137 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
HDAC1 Q13547 1/20 0.33
HPGD P15428 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 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
SCHEMBL14022030 1.00 POLB (0.49) POLBTSHRGABRA1GABRB2MAPT
SCHEMBL14022792 0.77 LMNA (0.47) POLBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL14022031 0.77 LMNA (0.47) POLBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL14021983 0.76 MAPT (0.47) POLBTSHRGABRA1GABRB2MAPT
SCHEMBL10816776 0.74 POLB (0.38) POLBTSHRGABRA1GABRB2MAPT
SCHEMBL4135919 0.74 POLB (0.62) POLBTSHRGABRA1GABRB2SMN1; SMN2
SCHEMBL335140 0.72 POLB (0.60) POLBTSHRGABRA1GABRB2SMN1; SMN2
SCHEMBL22103746 0.72 POLB (0.55) POLBTSHRGABRA1GABRB2SMN1; SMN2
SCHEMBL14021980 0.71 GAA (0.39) POLBMAPTSMN1; SMN2GAAKMT2A
SCHEMBL2756366 0.71 RAPGEF4 (0.57) MAPTGAARAPGEF4FFAR4LMNA

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-2008135386-A1 CHIRAL LIGANDS OF THE N-HETEROCYCLIC CARBENE TYPE FOR ASYMMETRICAL CATALYSIS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) 2008-11-13 WO disclosed