SCHEMBL20094573

SCHEMBL20094573

CCOC(=O)c1cc(NC(C)=O)c[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.56
ALOX15 P16050 1/20 0.46
MAPT P10636 1/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
BAZ2B Q9UIF8 1/20 0.42

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
SCHEMBL15318252 0.83 BAZ2B (0.50) BAZ2BBAZ2AALDH1A1SMN1; SMN2LMNA
SCHEMBL30693785 0.81 GABRP (0.41) MMP13ALOX15MAPTGABRPGABRD
SCHEMBL4420297 0.81 GABRP (0.45) MMP13ALOX15MAPTGABRPGABRD
SCHEMBL7298381 0.76 ROCK2 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2148753 0.76 GABRP (0.51) MMP13ALOX15MAPTGABRPGABRD
SCHEMBL15318227 0.76 HSD17B10 (0.45) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL20094767 0.76 DAO (0.49) ALOX15MAPTALDH1A1HPGDLMNA
SCHEMBL4674699 0.76 BAZ2B (0.53) MMP13MAPTGABRPGABRDGABRA1
SCHEMBL14791060 0.75 GABRA1 (0.50) MMP13ALOX15MAPTGABRPGABRD
SCHEMBL162674 0.75 GABRP (0.50) MMP13ALOX15MAPTGABRPGABRD

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
WO-2018075842-A1 CONDENSED BENZODIAZEPINE DERIVATIVES AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-26 WO disclosed