SCHEMBL8563635

SCHEMBL8563635

O=C(Cn1c(NCCCl)nc2ccccc21)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.80
TSHR P16473 3/20 0.68
USP2 O75604 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
POLB P06746 1/20 0.62
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53

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
Hydrochloric Acid SCHEMBL8864540 0.99 SMN1; SMN2 (0.78) SMN1; SMN2TSHRUSP2NPSR1POLB
SCHEMBL8565487 0.89 SMN1; SMN2 (1.00) SMN1; SMN2TSHRUSP2NPSR1POLB
Bromide SCHEMBL8864660 0.88 SMN1; SMN2 (0.97) SMN1; SMN2TSHRUSP2NPSR1POLB
SCHEMBL9568271 0.86 SMN1; SMN2 (0.86) SMN1; SMN2TSHRUSP2NPSR1POLB
Bromide SCHEMBL8864504 0.85 SMN1; SMN2 (0.84) SMN1; SMN2TSHRUSP2NPSR1POLB
SCHEMBL6325602 0.82 SMN1; SMN2 (0.70) SMN1; SMN2TSHRUSP2NPSR1POLB
SCHEMBL29738297 0.74 SMN1; SMN2 (0.71) SMN1; SMN2TSHRUSP2NPSR1ALDH1A1
SCHEMBL19713871 0.72 CYP1A2 (0.63) SMN1; SMN2TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL6321352 0.71 NPSR1 (0.98) SMN1; SMN2TSHRUSP2NPSR1POLB
Bromide SCHEMBL1294356 0.71 SMN1; SMN2 (0.68) SMN1; SMN2TSHRUSP2NPSR1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0571253-B1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR (FR) 1998-11-04 EP disclosed
US-5639756-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1997-06-17 US disclosed
US-5623073-A ANTIDIABETIC AGENT ADIR ET COMPAGNIE (FR) 1997-04-22 US disclosed
EP-0571253-A1 Benzimidazole derivatives with antidiabetic and antiplatelet aggregation activity ADIR ET COMPAGNIE (FR) 1993-11-24 EP disclosed