SCHEMBL10968630

SCHEMBL10968630

O=C(CN1C(=O)CSc2ccccc21)Oc1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.63
TSHR P16473 1/20 0.51
LMNA P02545 2/20 0.48
BCHE P06276 1/20 0.47
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10972683 0.87 NPSR1 (0.47) NPSR1TSHRLMNABCHEALOX15
SCHEMBL4969017 0.80 NPSR1 (0.76) NPSR1TSHRLMNAALOX15ALDH1A1
SCHEMBL7562796 0.78 NPSR1 (1.00) NPSR1TSHRLMNAALOX15ALDH1A1
SCHEMBL19586294 0.77 NPSR1 (0.71) NPSR1TSHRLMNABCHEALOX15
SCHEMBL30808619 0.76 NPSR1 (0.67) NPSR1TSHRLMNAALOX15ALDH1A1
SCHEMBL4971618 0.76 NPSR1 (0.67) NPSR1TSHRLMNAALOX15ALDH1A1
SCHEMBL12301766 0.75 NPSR1 (0.69) NPSR1TSHRLMNAALOX15ALDH1A1
SCHEMBL14365495 0.73 NPSR1 (0.62) NPSR1TSHRLMNAALOX15ALDH1A1
SCHEMBL30808609 0.72 NPSR1 (0.61) NPSR1TSHRLMNAALOX15ALDH1A1
SCHEMBL7280026 0.70 NPSR1 (0.62) NPSR1TSHRLMNAALOX15ALDH1A1

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-0162776-A2 Heterocyclic derivatives, process for their preparation and medicaments useful as aldose reductase inhibitors containing them LABORATOIRES UPSA (FR) 1985-11-27 EP disclosed