SCHEMBL21699994

SCHEMBL21699994

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
CASP3 P42574 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
STAT3 P40763 1/20 0.34
MAP2K2 P36507 1/20 0.34
MAP2K1 Q02750 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34

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
SCHEMBL22221803 0.83 BAZ2B (0.42) KMT2AMAPTBAZ2BBAZ2AALDH1A1
SCHEMBL21699991 0.83 KMT2A (0.39) KMT2AMAPTMEN1CASP3TRPV1
SCHEMBL23762448 0.79 KMT2A (0.33) KMT2AMAPTMEN1CASP3TRPV1
SCHEMBL21700069 0.77 ALDH1A1 (0.31) KMT2AMEN1ALDH1A1STAT3SMN1; SMN2
SCHEMBL23762691 0.77 OPRM1 (0.39) KMT2AMEN1
SCHEMBL31443298 0.75 LMNA (0.45) KMT2AMAPTBAZ2BBAZ2AALDH1A1
SCHEMBL21699985 0.75 BAZ2B (0.43) KMT2AMAPTMEN1CASP3TRPV1
SCHEMBL21699971 0.74 JAK2 (0.33) ALDH1A1GAASMN1; SMN2THRB
SCHEMBL21700027 0.71 MAPT (0.40) KMT2AMAPTBAZ2BBAZ2AALDH1A1
SCHEMBL17838285 0.71 BAZ2B (0.43) KMT2AMAPTBAZ2BBAZ2AALDH1A1

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