SCHEMBL5778632

SCHEMBL5778632

COC(C)c1nc2cc(C(=O)O)ccc2n1-c1cccc(N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
HSD17B10 Q99714 4/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MRGPRX2 Q96LB1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL5781182 0.90 THRB (0.48) THRBHSD17B10KDM4ESMN1; SMN2HPGD
SCHEMBL5779112 0.90 THRB (0.47) THRBHSD17B10MAPTTSHRSMN1; SMN2
SCHEMBL5781242 0.88 THRB (0.41) THRBHSD17B10MAPTKDM4ELMNA
SCHEMBL5783857 0.88 THRB (0.46) THRBHSD17B10MAPTTSHRSMN1; SMN2
SCHEMBL5783430 0.88 THRB (0.46) THRBHSD17B10MAPTTSHRSMN1; SMN2
SCHEMBL5777977 0.87 THRB (0.50) THRBHSD17B10KDM4ESMN1; SMN2HPGD
SCHEMBL5782040 0.87 THRB (0.45) THRBHSD17B10SMN1; SMN2HPGDKMT2A
SCHEMBL5779160 0.87 THRB (0.43) THRBHSD17B10SMN1; SMN2HPGDALDH1A1
SCHEMBL5780733 0.86 THRB (0.44) THRBHSD17B10MAPTTSHRSMN1; SMN2
SCHEMBL5781872 0.86 THRB (0.41) THRBHSD17B10KDM4ETSHRSMN1; SMN2

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
EP-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP claimed