SCHEMBL21834575

SCHEMBL21834575

CN(C(=O)C1(CC(=O)O)Cc2ccccc2C1)c1nc(-c2cccc(O)c2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KMT2A Q03164 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ GRM1 Q13255 2/20 0.41
▸ ALOX15 P16050 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
SCHEMBL21834637 0.89 NPC1 (0.51) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL21834551 0.86 GRM1 (0.57) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL21834573 0.85 NPC1 (0.56) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL21834679 0.83 RAB9A (0.43) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL21834566 0.82 RAB9A (0.47) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL21834634 0.81 MAPT (0.50) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL21834549 0.81 GRM1 (0.52) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL21834611 0.80 FFAR2 (0.41) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL21834701 0.80 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL21834623 0.79 UCHL1 (0.49) RAB9ANPC1SMN1; SMN2LMNAKMT2A

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
Send feedback