SCHEMBL21834580

SCHEMBL21834580

CN1CCN(C(=O)COc2ccc(-c3csc(N(C)C(=O)C4(CC(=O)O)Cc5ccccc5C4)n3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41

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
SCHEMBL21812768 0.90 KMT2A (0.46) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL21834646 0.87 RAB9A (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21834645 0.84 NPC1 (0.54) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21834702 0.83 LMNA (0.45) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL23857805 0.82 HPGD (0.49) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL21812854 0.82 KMT2A (0.41) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL21834567 0.82 MAPK1 (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21834561 0.82 NPC1 (0.49) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL21812561 0.82 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL21834637 0.81 NPC1 (0.51) KMT2AMEN1ALDH1A1NPC1RAB9A

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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