SCHEMBL10402279

SCHEMBL10402279

CCOC(=O)c1cccc(Cc2c[nH]cn2)c1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ CLEC4M Q9H2X3 1/20 0.41
▸ JAK2 O60674 7/20 0.40
▸ JAK3 P52333 7/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CDC25B P30305 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL10401974 0.88 ALDH1A1 (0.39) TSHRMAPTALDH1A1HSD17B10LMNA
SCHEMBL9518795 0.86 CYP3A4 (0.49) TSHRMAPTGAAALDH1A1HSD17B10
SCHEMBL9647526 0.82 PLK1 (0.38) GAAALDH1A1HSD17B10LMNAHPGD
SCHEMBL9518487 0.82 HMGB1 (0.48) TSHRGAAALDH1A1HSD17B10LMNA
Hydrochloric Acid SCHEMBL10402047 0.81 PLK1 (0.37) GAAALDH1A1HSD17B10LMNAHPGD
Hydrochloric Acid SCHEMBL10401999 0.81 HMGB1 (0.47) TSHRGAAALDH1A1HSD17B10LMNA
Mivazerol SCHEMBL8097939 0.81 PARP1 (0.39) TSHRMAPTALDH1A1HSD17B10HPGD
Mivazerol SCHEMBL593708 0.81 PARP1 (0.39) TSHRMAPTALDH1A1HSD17B10HPGD
SCHEMBL10402416 0.81 MAPT (0.39) MAPTGAAJAK2JAK3ALDH1A1
SCHEMBL9647552 0.80 CCR6 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4923865-A Substituted 1-(1H-imidazol-4-yl)alkyl-benzamides as anti-ischemics and as alpha-2-adrenergic receptor agonists U C B SOCIETE ANONYME (BE) 1990-05-08 — — US disclosed
US-4814343-A ANTIISCHEMIC U C B, S.A. (BE) 1989-03-21 — — US disclosed
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