SCHEMBL21834637

SCHEMBL21834637

CN(C(=O)C1(CC(=O)O)Cc2ccccc2C1)c1nc(-c2ccc(O)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.51
▸ RAB9A P51151 8/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ GRM1 Q13255 2/20 0.46
▸ PTGS2 P35354 1/20 0.44
▸ ALOX15 P16050 1/20 0.43

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 0.91 GRM1 (0.57) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL21834575 0.89 RAB9A (0.46) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL21834573 0.86 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL21834634 0.86 MAPT (0.50) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL21834645 0.86 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL21834679 0.86 RAB9A (0.43) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL21834566 0.84 RAB9A (0.47) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL21834549 0.84 GRM1 (0.52) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL21834611 0.83 FFAR2 (0.41) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL21834701 0.82 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2KMT2AMAPT

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