SCHEMBL21699985

SCHEMBL21699985

CCOC(=O)c1c(F)c(S)cn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
STAT3 P40763 1/20 0.38
LMNA P02545 2/20 0.38
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL31443298 0.81 LMNA (0.45) BAZ2BBAZ2AKMT2AGAAMAPT
SCHEMBL21700027 0.77 MAPT (0.40) BAZ2BBAZ2AKMT2AGAAMAPT
SCHEMBL17838285 0.77 BAZ2B (0.43) BAZ2BBAZ2AKMT2AGAAMAPT
SCHEMBL21699991 0.77 KMT2A (0.39) BAZ2BBAZ2AKMT2AGAAMAPT
SCHEMBL17838308 0.77 BAZ2B (0.43) BAZ2BBAZ2AKMT2AGAAMAPT
SCHEMBL17700812 0.77 KMT2A (0.39) BAZ2BBAZ2AKMT2AGAAMAPT
SCHEMBL21699997 0.76 CA1 (0.47) BAZ2BBAZ2AKMT2AGAAMAPT
SCHEMBL16236608 0.76 BAZ2B (0.40) BAZ2BBAZ2AKMT2AGAAMAPT
SCHEMBL31443391 0.76 KMT2A (0.43) KMT2AGAAMAPTALDH1A1LMNA
SCHEMBL21699994 0.75 KMT2A (0.37) BAZ2BBAZ2AKMT2AGAAMAPT

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-3608326-A1 TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS IRBM S.P.A. (IT) 2020-02-12 EP disclosed