SCHEMBL22043476

SCHEMBL22043476

N[C@H](Cc1ccccc1)C(=O)Nc1ccc2oc(-c3ccc(O)cc3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.58
▸ ALDH1A1 P00352 7/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ RAB9A P51151 5/20 0.58
▸ POLB P06746 5/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ HPGD P15428 5/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ PPARG P37231 1/20 0.56
▸ NR2E3 Q9Y5X4 1/20 0.56
▸ NCOR2 Q9Y618 1/20 0.56
▸ NPSR1 Q6W5P4 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ UTRN P46939 2/20 0.54
▸ MAPT P10636 6/20 0.54
▸ PTPN1 P18031 2/20 0.53
▸ PTPN5 P54829 2/20 0.53

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
SCHEMBL22043468 0.89 MAPT (0.69) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL22043484 0.83 MAPT (0.56) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL16939846 0.81 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL15569860 0.78 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL3948187 0.78 UTRN (0.77) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL3948179 0.78 UTRN (0.77) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL2244578 0.76 NPC1 (0.80) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL2242920 0.76 SMN1; SMN2 (0.80) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL2246316 0.75 ALDH1A1 (0.87) SMN1; SMN2ALDH1A1NPC1RAB9APOLB
SCHEMBL13254484 0.75 MAPT (0.78) SMN1; SMN2ALDH1A1POLBKDM4ENPSR1

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-2020112605-A1 COMPOUNDS AND METHODS FOR TREATING CHRONIC MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2020-06-04 — — WO disclosed
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