SCHEMBL21834549

SCHEMBL21834549

CN(C(=O)C1(CC(=O)O)Cc2ccccc2C1)c1nc(-c2ccccn2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 6/20 0.52
▸ GRIA1 P42261 3/20 0.48
▸ UCHL1 P09936 1/20 0.46
▸ USP30 Q70CQ3 1/20 0.46
▸ CYP1A2 P05177 2/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ADORA3 P0DMS8 2/20 0.40
▸ KDM4A O75164 1/20 0.40
▸ KDM4B O94953 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL21834551 0.87 GRM1 (0.57) GRM1UCHL1USP30RAB9ANPC1
SCHEMBL21834573 0.84 NPC1 (0.56) GRM1UCHL1USP30RAB9ANPC1
SCHEMBL21834701 0.84 SMN1; SMN2 (0.44) GRM1UCHL1USP30RAB9ANPC1
SCHEMBL21834699 0.84 MAPT (0.40) GRM1UCHL1USP30RAB9ANPC1
SCHEMBL21834637 0.84 NPC1 (0.51) GRM1UCHL1USP30RAB9ANPC1
SCHEMBL21834679 0.84 RAB9A (0.43) GRM1UCHL1USP30RAB9ANPC1
SCHEMBL21834611 0.83 FFAR2 (0.41) GRM1UCHL1USP30RAB9ANPC1
SCHEMBL21834575 0.81 RAB9A (0.46) GRM1UCHL1USP30RAB9ANPC1
SCHEMBL21834623 0.81 UCHL1 (0.49) UCHL1USP30RAB9ANPC1SMN1; SMN2
SCHEMBL21834566 0.81 RAB9A (0.47) GRM1UCHL1USP30RAB9ANPC1

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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