SCHEMBL28089256

SCHEMBL28089256

COc1cc[c]cc1NC(=O)[SH](=O)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.35
CASP6 P55212 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35
EIF4H Q15056 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 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
SCHEMBL1355596 0.82 ALDH1A1 (0.45) KMT2AALDH1A1MEN1TSHRGAA
SCHEMBL2902879 0.81 HTT (0.46) POLBKMT2AALDH1A1TSHRGAA
SCHEMBL2900503 0.79 KDM4E (0.48) KMT2AALDH1A1MEN1TSHRGAA
SCHEMBL1355211 0.79 KMT2A (0.52) KMT2AALDH1A1MEN1GAALMNA
SCHEMBL2899236 0.78 HTT (0.55) POLBTDP1KMT2AALDH1A1MEN1
SCHEMBL2902630 0.77 KMT2A (0.58) POLBKMT2AALDH1A1MEN1TSHR
SCHEMBL29001789 0.77 KMT2A (0.30) KMT2A
SCHEMBL2900768 0.76 LMNA (0.49) POLBTDP1ALDH1A1GAALMNA
SCHEMBL2901269 0.76 SMN1; SMN2 (0.48) KMT2AALDH1A1MEN1GAALMNA
SCHEMBL2894992 0.76 SMN1; SMN2 (0.48) KMT2AALDH1A1ALOX15SMN1; 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-105828820-A Bromodomain inhibitors 赛尔基因昆蒂赛尔研究公司 2016-08-03 CN disclosed