SCHEMBL21834551

SCHEMBL21834551

CN(C(=O)C1(CC(=O)O)Cc2ccccc2C1)c1nc(-c2ccncc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 8/20 0.57
▸ RAB9A P51151 6/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ KMT2A Q03164 4/20 0.44
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ UCHL1 P09936 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 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
SCHEMBL21834573 0.91 NPC1 (0.56) GRM1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL21834637 0.91 NPC1 (0.51) GRM1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL21834549 0.87 GRM1 (0.52) GRM1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL21834670 0.86 GRM1 (0.43) GRM1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL21834575 0.86 RAB9A (0.46) GRM1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL21834566 0.85 RAB9A (0.47) GRM1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL21834634 0.85 MAPT (0.50) GRM1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL21834645 0.85 NPC1 (0.54) GRM1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL21834679 0.84 RAB9A (0.43) GRM1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL21834611 0.84 FFAR2 (0.41) GRM1RAB9ANPC1SMN1; SMN2LMNA

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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