SCHEMBL21834634

SCHEMBL21834634

CN(C)CC(=O)Nc1ccc(-c2csc(N(C)C(=O)C3(CC(=O)O)Cc4ccccc4C3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ RAB9A P51151 10/20 0.43
▸ NPC1 O15118 8/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ GRM1 Q13255 1/20 0.43
▸ SMN1; SMN2 Q16637 8/20 0.43
▸ LMNA P02545 4/20 0.43
▸ ALOX15 P16050 1/20 0.41
▸ NAMPT P43490 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GSTO1 P78417 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
SCHEMBL21812922 0.88 UCHL1 (0.44) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL21834637 0.86 NPC1 (0.51) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL21834551 0.85 GRM1 (0.57) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL21812661 0.82 MAPT (0.48) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL21834575 0.81 RAB9A (0.46) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL21834573 0.81 NPC1 (0.56) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL21834645 0.80 NPC1 (0.54) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL21834566 0.79 RAB9A (0.47) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL21834549 0.78 GRM1 (0.52) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL21834679 0.78 RAB9A (0.43) MAPTRAB9ANPC1KMT2AMEN1

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-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 — — WO disclosed
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