SCHEMBL7865775

SCHEMBL7865775

CC(=O)Nc1cccc(-c2cc[c]s2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.62
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 3/20 0.48
POLB P06746 3/20 0.48
PSMB11 A5LHX3 1/20 0.48
PSMD11 O00231 1/20 0.48
PSMD12 O00232 1/20 0.48
PSMD14 O00487 1/20 0.48
PSMA7 O14818 1/20 0.48
PSMD3 O43242 1/20 0.48
PSMC3 P17980 1/20 0.48
PSMB1 P20618 1/20 0.48
PSMA1 P25786 1/20 0.48
PSMA2 P25787 1/20 0.48
PSMA3 P25788 1/20 0.48
PSMA4 P25789 1/20 0.48
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48

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
SCHEMBL5917532 0.84 SMN1; SMN2 (0.58) NQO2ALDH1A1HSD17B10MAPTPOLB
SCHEMBL28741245 0.80 CNR1 (0.42) ALDH1A1MEN1KMT2ASYK
SCHEMBL3135779 0.76 SYK (0.46) KMT2ASYK
SCHEMBL592446 0.76 NQO2 (0.66) NQO2ALDH1A1CYP1A2HSD17B10MAPT
SCHEMBL694904 0.75 NQO2 (0.56) NQO2ALDH1A1CYP1A2HSD17B10MAPT
SCHEMBL3786463 0.74 NQO2 (0.73) NQO2ALDH1A1CYP1A2HSD17B10MAPT
SCHEMBL14384393 0.73 NQO2 (0.76) NQO2ALDH1A1CYP1A2HSD17B10MAPT
SCHEMBL5016071 0.73 NQO2 (0.76) NQO2ALDH1A1CYP1A2HSD17B10MAPT
SCHEMBL1901172 0.73 ALDH1A1 (0.76) ALDH1A1CYP1A2HSD17B10MAPTPOLB
SCHEMBL731180 0.73 NQO2 (0.54) NQO2ALDH1A1CYP1A2HSD17B10MAPT

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
EP-1161438-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2001-12-12 EP claimed
WO-2000055168-A1 6-O-SUBSTITUTED MACROLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2000-09-21 WO claimed