SCHEMBL21089930

SCHEMBL21089930

Cc1ccc2cc3c(nc2c1)NCCS3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.40
▸ ALDH1A1 P00352 10/20 0.37
▸ GAA P10253 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KDM4E B2RXH2 6/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.33
▸ NCK1 P16333 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL21089939 0.82 MEN1 (0.37) ALDH1A1GAAKMT2AMEN1
SCHEMBL22699619 0.81 MEN1 (0.34) CYP1A2ALDH1A1GAAKMT2AMEN1
SCHEMBL21055029 0.75 MEN1 (0.36) ALDH1A1GAAKMT2AMEN1
SCHEMBL22699635 0.74 EPHX2 (0.55) CYP1A2ALDH1A1KMT2AMEN1POLB
SCHEMBL15691803 0.72 UHRF1 (0.35) ALDH1A1GAAKMT2AMEN1
SCHEMBL22743534 0.71 ALDH1A1 (0.42) CYP1A2ALDH1A1GAAKMT2AMEN1
SCHEMBL12002288 0.70 MEN1 (0.39) ALDH1A1GAAKMT2AMEN1
SCHEMBL10226483 0.70 PDE3B (0.33) ALDH1A1GAAKMT2AMEN1
SCHEMBL19751453 0.70 GAA (0.55) CYP1A2ALDH1A1GAAKMT2AMEN1
SCHEMBL31318567 0.70 GAA (0.55) CYP1A2ALDH1A1GAAKMT2AMEN1

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
WO-2019112719-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2019-06-13 — — WO disclosed
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