SCHEMBL10768874

SCHEMBL10768874

O=C(O)c1cnc(COc2ncccn2)c(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ AGER Q15109 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NAPRT Q6XQN6 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM6B O15054 1/20 0.33
▸ KDM4A O75164 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
SCHEMBL10768870 0.79 ALDH1A1 (0.44) MAPTALDH1A1NPSR1MEN1KMT2A
Hydrochloric Acid SCHEMBL10767092 0.78 ALDH1A1 (0.43) MAPTALDH1A1ALOX15NPSR1MEN1
SCHEMBL10764581 0.75 HCAR2 (0.41) MGAMKDM4EMAPTALDH1A1ALOX15
SCHEMBL10447248 0.74 MGAM (0.38) MGAMKDM4ETDP1MAPTALDH1A1
SCHEMBL19857480 0.74 GABRP (0.46) MGAMKDM4EMAPTALDH1A1ALOX15
SCHEMBL9037560 0.74 HCAR2 (0.40) MGAMKDM4EMAPTALDH1A1ALOX15
SCHEMBL29819483 0.71 TSHR (0.44) MGAMKDM4EMAPTALDH1A1TSHR
SCHEMBL10768907 0.71 MGAM (0.38) MGAMKDM4EPSMD14LMNAKDM4C
SCHEMBL10766358 0.70 HTT (0.53) MGAMTDP1MAPTALOX15TSHR
SCHEMBL10515374 0.69 PKM (0.49) ALDH1A1TSHRL3MBTL1KMT2ASMN1; SMN2

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
EP-0225175-A2 Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-06-10 — — EP claimed
EP-0225175-A2 Dihydropyridine derivatives, processes for their preparation and pharmaceutical compositions thereof FISONS plc (GB) 1987-06-10 — — EP disclosed
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