SCHEMBL21834566

SCHEMBL21834566

CN(C(=O)C1(CC(=O)O)Cc2ccccc2C1)c1nc(-c2cnn(C)c2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GRM1 Q13255 2/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ UCHL1 P09936 2/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 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
SCHEMBL21812715 0.88 GSTO1 (0.41) RAB9ANPC1SMN1; SMN2LMNAGRM1
SCHEMBL21834612 0.87 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2LMNAGRM1
SCHEMBL21834551 0.85 GRM1 (0.57) RAB9ANPC1SMN1; SMN2LMNAGRM1
SCHEMBL21834671 0.85 NPC1 (0.43) RAB9ANPC1SMN1; SMN2LMNAGRM1
SCHEMBL21834701 0.85 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2LMNAGRM1
SCHEMBL21834573 0.85 NPC1 (0.56) RAB9ANPC1SMN1; SMN2LMNAGRM1
SCHEMBL21834637 0.84 NPC1 (0.51) RAB9ANPC1SMN1; SMN2LMNAGRM1
SCHEMBL21834645 0.83 NPC1 (0.54) RAB9ANPC1SMN1; SMN2LMNAGRM1
SCHEMBL21834679 0.82 RAB9A (0.43) RAB9ANPC1SMN1; SMN2LMNAGRM1
SCHEMBL21834575 0.82 RAB9A (0.46) RAB9ANPC1SMN1; SMN2LMNAGRM1

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 2 patents. 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 claimed
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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