SCHEMBL11040239

SCHEMBL11040239

COc1cc2c(c(OC)c1OC)C=CNC(=S)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
ACHE P22303 2/20 0.34
POLB P06746 1/20 0.34
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
MPI P34949 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL11044416 0.76 BRD4 (0.45) CYP3A4MAPTALDH1A1LMNAKMT2A
SCHEMBL11043192 0.73 ATM (0.37) ATMCYP3A4MAPTALDH1A1LMNA
SCHEMBL11038859 0.70 BRD4 (0.39) CYP3A4MAPTALDH1A1GAA
SCHEMBL11160277 0.70 GAA (0.45) ATMCYP3A4MAPTALDH1A1LMNA
SCHEMBL11041605 0.69 BRD4 (0.39) CYP3A4MAPTALDH1A1LMNAKMT2A
SCHEMBL11039921 0.67 LMNA (0.43) ATMCYP3A4MAPTLMNAKMT2A
SCHEMBL11038869 0.67 ATM (0.37) ATMCYP3A4MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL11038861 0.66 ATM (0.36) ATMCYP3A4MAPTLMNATDP1
SCHEMBL11356640 0.63 ATM (0.66) ATMCYP3A4MAPTLMNAKMT2A
SCHEMBL18535902 0.62 MAPT (0.56) ATMCYP3A4MAPTLMNAKMT2A

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
EP-0116444-A2 Improvements in or relating to benzazepine derivatives ELI LILLY AND COMPANY (US) 1984-08-22 EP disclosed