SCHEMBL10668481

SCHEMBL10668481

CCOC(=O)c1nc(NC(=N)N)sc1-c1cc[n+]([O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 9/20 0.38
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
RAB9A P51151 6/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 5/20 0.37
DHODH Q02127 1/20 0.37
PKM P14618 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10671926 0.85 MEN1 (0.42) LMNAMEN1KMT2AGAACYP1A2
SCHEMBL10668306 0.83 RAB9A (0.56) LMNAMEN1KMT2AGAASMN1; SMN2
SCHEMBL10668969 0.81 ALDH1A1 (0.55) LMNAMEN1KMT2AGAACYP1A2
SCHEMBL7143965 0.77 KDM4E (0.64) MEN1KMT2AGAACYP1A2CYP2C9
SCHEMBL16908932 0.76 GAA (0.60) LMNAMEN1KMT2AGAACYP1A2
SCHEMBL10668038 0.71 CDC7 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10668031 0.71 CDC7 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10664404 0.70 CDC7 (0.56) LMNAMEN1KMT2AGAASMN1; SMN2
SCHEMBL3314292 0.70 ALDH1A1 (0.55) LMNAMEN1KMT2AGAACYP1A2
Hydrochloric Acid SCHEMBL7138896 0.70 KDM4E (0.50) MEN1KMT2AGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4735957-A ANTIULCER AGENTS, CARDIOTONIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-05 US disclosed
US-4649146-A ANTIULCER FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 US disclosed
EP-0117082-A2 Thiazole derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-08-29 EP disclosed