SCHEMBL9159740

SCHEMBL9159740

CCOC(=O)CC(=O)O.NC(=O)C(=NO)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PPID Q08752 1/20 0.39

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
Benzamide SCHEMBL28224034 0.82 MAPT (0.53) GAACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL9164429 0.78 CTBP2 (0.49) L3MBTL1PPID
SCHEMBL6026832 0.78 CYP2C19 (1.00) GAACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL6026834 0.78 CYP2C19 (1.00) GAACYP2C19SMN1; SMN2MEN1KMT2A
Toluene SCHEMBL9479143 0.75 GAA (0.52) GAASMN1; SMN2MEN1KMT2AALDH1A1
Benzene SCHEMBL28101102 0.74 GAA (0.67) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11233361 0.73 SMN1; SMN2 (0.57) GAACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL124577 0.72 KMT2A (0.59) GAACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL6811621 0.71 L3MBTL1 (0.57) GAASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6811627 0.71 L3MBTL1 (0.57) GAASMN1; SMN2MEN1KMT2AALDH1A1

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-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 — — US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 — — EP disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 — — EP disclosed
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