SCHEMBL27567982

SCHEMBL27567982

O=C(OCC/C=C/c1ccncc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ SNCA P37840 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ LMNA P02545 2/20 0.47
▸ NAAA Q02083 2/20 0.45
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PLOD2 O00469 1/20 0.41
▸ PLOD3 O60568 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PLOD1 Q02809 1/20 0.41

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
SCHEMBL27981236 0.90 TDP1 (0.58) TDP1LMNANAAATSHRSMN1; SMN2
SCHEMBL29021601 0.90 TDP1 (0.58) TDP1LMNANAAATSHRSMN1; SMN2
SCHEMBL6290523 0.85 SNCA (0.61) L3MBTL1SNCATDP1LMNATSHR
SCHEMBL19633028 0.75 LMNA (0.61) TDP1LMNATSHRSMN1; SMN2KMT2A
SCHEMBL19139254 0.75 LMNA (0.61) TDP1LMNATSHRSMN1; SMN2KMT2A
SCHEMBL10600931 0.75 TDP1 (0.59) L3MBTL1TDP1LMNATSHRSMN1; SMN2
SCHEMBL7112583 0.75 NAAA (0.53) LMNANAAASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7112586 0.75 NAAA (0.53) LMNANAAASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL28849432 0.74 TBXAS1 (0.53) L3MBTL1TDP1LMNASMN1; SMN2HIF1A
SCHEMBL30285512 0.74 LMNA (0.69) L3MBTL1TDP1LMNATSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1306509-A Substituted benzamides, their prodn. and use as cysteine protease inhibitors BASF AG (DE) 2001-08-01 — — CN disclosed
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