SCHEMBL10514880

SCHEMBL10514880

Nc1ncn(C(c2ccccc2)c2ccccc2)c1OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.35
▸ LMNA P02545 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ADA P00813 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP19A1 P11511 4/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9533466 0.89 LMNA (0.38) LMNATDP1TP53TSHRALDH1A1
SCHEMBL11337559 0.85 MGLL (0.35) MGLLLMNATDP1CACNA1HCACNA2D1
SCHEMBL10391240 0.75 MAPK1 (0.44) LMNATP53TSHRALDH1A1MAPK1
SCHEMBL11332342 0.71 ALDH1A1 (0.47) MGLLLMNATDP1ALDH1A1MAPK1
SCHEMBL11335498 0.71 MGLL (0.38) MGLLLMNATDP1TP53ALDH1A1
SCHEMBL11493710 0.67 PKM (0.50) LMNATDP1TSHRALDH1A1MAPK1
SCHEMBL11325136 0.66 ALDH1A1 (0.44) MGLLLMNATDP1ALDH1A1MAPK1
SCHEMBL11565546 0.65 ALDH1A1 (0.44) LMNATDP1CACNA2D1CACNA1BCACNB1
SCHEMBL11325403 0.65 MAPK1 (0.45) LMNATP53TSHRALDH1A1MAPK1
SCHEMBL11374737 0.63 ALDH1A1 (0.44) MGLLLMNATDP1ALDH1A1MAPK1

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-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 — — EP disclosed
Send feedback