SCHEMBL21700069

SCHEMBL21700069

CCOC(=O)c1c(F)c(SNC2COCC2O)cn1C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 2/20 0.30
STAT3 P40763 1/20 0.30
GLA P06280 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL21699995 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL21670190 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL28618546 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL21699994 0.77 KMT2A (0.37) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL21702675 0.75 MEN1 (0.37) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL21699971 0.72 JAK2 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL21699991 0.72 KMT2A (0.39) ALDH1A1MEN1KMT2ARAB9ASTAT3
SCHEMBL23762448 0.70 KMT2A (0.33) ALDH1A1MEN1KMT2A
SCHEMBL28613897 0.69 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL28613899 0.69 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A

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