SCHEMBL8699897

SCHEMBL8699897

COc1nc(C)c(C)cc1NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 3/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR35 Q9HC97 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL14472219 0.86 SMN1; SMN2 (0.45) GAASMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL6965451 0.82 SMN1; SMN2 (0.50) GAASMN1; SMN2MAPTPOLBALDH1A1
Benzene SCHEMBL27466605 0.81 ALDH1A1 (0.48) GAASMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL6965290 0.81 ALDH1A1 (0.48) GAASMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL6962159 0.80 L3MBTL1 (0.40) GAASMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL7628961 0.79 MAPT (0.44) GAASMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL8594445 0.79 GRM1 (0.37) GAASMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL6962164 0.75 MAPT (0.35) GAASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL6652808 0.75 RBP4 (0.57) GAAMAPTPOLBALDH1A1KDM4E
SCHEMBL7621072 0.74 PKM (0.42) SMN1; SMN2MAPTPOLBALDH1A1KDM4E

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
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed