SCHEMBL28903550

SCHEMBL28903550

CCc1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.57
▸ ALB P02768 1/20 0.57
▸ MAOA P21397 1/20 0.57
▸ CNR1 P21554 1/20 0.57
▸ DRD1 P21728 1/20 0.57
▸ OPRD1 P41143 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ PDE3A Q14432 1/20 0.57
▸ SMN1; SMN2 Q16637 10/20 0.51
▸ RAB9A P51151 9/20 0.51
▸ NPC1 O15118 8/20 0.51
▸ ALDH1A1 P00352 8/20 0.51
▸ MAPT P10636 8/20 0.51
▸ MEN1 O00255 7/20 0.51
▸ KMT2A Q03164 7/20 0.51
▸ KDM4E B2RXH2 7/20 0.51
▸ HPGD P15428 6/20 0.51
▸ TP53 P04637 5/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ NFKB1 P19838 2/20 0.51

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
SCHEMBL29394557 0.86 TTR (0.52) TTRALBMAOACNR1DRD1
SCHEMBL10271390 0.84 NPC1 (0.64) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL15014132 0.82 NPC1 (0.57) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL10272058 0.81 ALDH1A1 (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL22946076 0.80 SMN1; SMN2 (0.68) TTRALBMAOACNR1DRD1
SCHEMBL19380064 0.79 NPC1 (0.64) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL10271557 0.79 MAPT (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL3900968 0.78 NPC1 (0.57) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL3900972 0.78 NPC1 (0.57) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL9305682 0.78 RAB9A (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT

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
CN-115286591-B Synthesis method of drug Tafamidis 湖南第一师范学院 2023-10-20 — — CN disclosed
CN-115286591-A Synthetic method of drug Tafamidis 湖南第一师范学院 2022-11-04 — — CN disclosed
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