SCHEMBL9563516

SCHEMBL9563516

Cc1ccc(NC(=O)CN)c(C(=O)c2ccc[nH]2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
KDM4E B2RXH2 2/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
CYP1A2 P05177 1/20 0.74
MAPT P10636 1/20 0.74
PKM P14618 1/20 0.48
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45

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
SCHEMBL9851289 0.85 MAPT (1.00) SMN1; SMN2KDM4EL3MBTL1CYP1A2MAPT
SCHEMBL9563510 0.77 MAPT (0.56) SMN1; SMN2KDM4EL3MBTL1CYP1A2MAPT
SCHEMBL9563517 0.73 MAPT (0.58) SMN1; SMN2KDM4EL3MBTL1CYP1A2MAPT
SCHEMBL18080781 0.73 MAPT (0.78) SMN1; SMN2KDM4EL3MBTL1CYP1A2MAPT
SCHEMBL16303386 0.72 KMT2A (0.77) SMN1; SMN2L3MBTL1MAPTALDH1A1LMNA
SCHEMBL7764411 0.70 KMT2A (0.54) SMN1; SMN2ALDH1A1LMNANPC1HTT
SCHEMBL9422482 0.69 L3MBTL1 (0.53) SMN1; SMN2KDM4EL3MBTL1CYP1A2MAPT
SCHEMBL9686366 0.69 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EL3MBTL1CYP1A2MAPT
Acetic Acid SCHEMBL6271336 0.69 L3MBTL1 (0.47) SMN1; SMN2KDM4EL3MBTL1CYP1A2MAPT
SCHEMBL11727445 0.69 PKM (0.73) SMN1; SMN2MAPTPKMALDH1A1LMNA

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
WO-2018093797-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ABERRANT ANGIOGENESIS THE SCHEPENS EYE RESEARCH INSTITUTE, INC. (US) 2018-05-24 WO disclosed
EP-0552665-A1 Pyrrolylbenzodiazepinones and medicines containing them F. HOFFMANN-LA ROCHE AG (CH) 1993-07-28 EP disclosed