SCHEMBL21254761

SCHEMBL21254761

C[S+]([O-])c1ccc2c(c1)NCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3238935 0.76 DRD2 (0.50) CA12CA1CA2CA9GFER
SCHEMBL11328613 0.75 PNMT (0.43) —
SCHEMBL30634161 0.73 MAPT (0.50) CA12CA1CA2CA9GFER
SCHEMBL3111834 0.73 MAPT (0.50) CA12CA1CA2CA9GFER
SCHEMBL10564473 0.70 HTR2C (0.48) HRH3
SCHEMBL17785623 0.70 GFER (0.56) CA12CA1CA2CA9GFER
SCHEMBL1439875 0.70 CA12 (0.54) CA12CA1CA2CA9GFER
SCHEMBL1119368 0.69 DRD2 (0.55) CA12CA1CA2CA9GFER
SCHEMBL21760177 0.69 ADRA2A (0.44) CA12CA1CA2CA9GFER
SCHEMBL15320816 0.69 MAPT (0.46) CA12CA1CA2CA9GFER

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-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 — — EP disclosed
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