SCHEMBL28260589

SCHEMBL28260589

Nc1ccc(OC(=O)c2ccc(C(=O)O)cc2)c(-c2ccccc2)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ TOP1 P11387 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ TTR P02766 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ USP2 O75604 1/20 0.36

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
SCHEMBL17783723 0.88 KMO (0.43) SMN1; SMN2MAPTKMT2ARXRARXRB
SCHEMBL827967 0.81 PARP10 (0.47) SMN1; SMN2MAPTKMT2APARP10MEN1
SCHEMBL31536329 0.79 SMN1; SMN2 (0.47) SMN1; SMN2MAPTKMT2ARXRARXRB
SCHEMBL28261894 0.76 ESR1 (0.47) SMN1; SMN2MAPTKMT2ANPC1TP53
SCHEMBL17744863 0.74 TOP1 (0.52) SMN1; SMN2MAPTKMT2ARXRARXRB
SCHEMBL10782892 0.74 MAPT (0.62) SMN1; SMN2MAPTKMT2ARXRARXRB
SCHEMBL19809269 0.73 KMT2A (0.42) SMN1; SMN2MAPTKMT2ATOP1TP53
SCHEMBL10633834 0.72 KMT2A (0.59) SMN1; SMN2MAPTKMT2ATOP1PARP10
SCHEMBL19809268 0.71 KMT2A (0.46) SMN1; SMN2MAPTKMT2ATOP1NPC1
SCHEMBL29051866 0.71 TSHR (0.40) SMN1; SMN2MAPTKMT2ATP53RAB9A

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
CN-105392838-B Composition epoxy resin, prepreg and carbon fibre reinforced composite 东丽株式会社 2018-12-14 — — CN disclosed
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