SCHEMBL9568271

SCHEMBL9568271

O=C(Cn1c(NCCCO)nc2ccccc21)c1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.86
TSHR P16473 3/20 0.81
POLB P06746 1/20 0.81
USP2 O75604 2/20 0.77
ALDH1A1 P00352 1/20 0.77
NPSR1 Q6W5P4 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.69

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
Bromide SCHEMBL8864504 0.99 SMN1; SMN2 (0.84) SMN1; SMN2TSHRPOLBUSP2ALDH1A1
SCHEMBL8565487 0.93 SMN1; SMN2 (1.00) SMN1; SMN2TSHRPOLBUSP2ALDH1A1
Bromide SCHEMBL8864660 0.91 SMN1; SMN2 (0.97) SMN1; SMN2TSHRPOLBUSP2ALDH1A1
SCHEMBL8563635 0.86 SMN1; SMN2 (0.80) SMN1; SMN2TSHRPOLBUSP2ALDH1A1
Hydrochloric Acid SCHEMBL8864540 0.85 SMN1; SMN2 (0.78) SMN1; SMN2TSHRPOLBUSP2ALDH1A1
SCHEMBL6325602 0.81 SMN1; SMN2 (0.70) SMN1; SMN2TSHRPOLBUSP2ALDH1A1
SCHEMBL29738297 0.77 SMN1; SMN2 (0.71) SMN1; SMN2TSHRUSP2ALDH1A1NPSR1
SCHEMBL20715601 0.77 TSHR (0.57) SMN1; SMN2TSHRPOLBUSP2ALDH1A1
SCHEMBL6321352 0.75 NPSR1 (0.98) SMN1; SMN2TSHRPOLBUSP2ALDH1A1
SCHEMBL5458651 0.74 SMN1; SMN2 (0.59) SMN1; SMN2TSHRPOLBUSP2ALDH1A1

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-0571253-A1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR ET COMPAGNIE (FR) 1993-11-24 EP disclosed