SCHEMBL28269345

SCHEMBL28269345

NCc1cc(O)c(C2CCCCC2)cc1C(c1ccc(O)cc1)c1cc(C2CCCCC2)c(O)cc1CN

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.35
▸ MIF P14174 1/20 0.32
▸ TAAR1 Q96RJ0 2/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL28248490 0.86 NUDT1 (0.40) NUDT1BACE1HSP90AA1NFKB1
SCHEMBL28723729 0.84 HSP90AA1 (0.39) NUDT1BACE1HSP90AA1MIFESR1
SCHEMBL29558125 0.84 HSP90AA1 (0.39) NUDT1BACE1HSP90AA1MIFESR1
SCHEMBL28278535 0.82 NUDT1 (0.43) NUDT1BACE1HSP90AA1TSHRPABPC1
SCHEMBL36658 0.80 NUDT1 (0.37) NUDT1BACE1HSP90AA1MIFESR1
SCHEMBL29372915 0.80 NUDT1 (0.37) NUDT1BACE1HSP90AA1MIFESR1
SCHEMBL29499852 0.80 NUDT1 (0.37) NUDT1BACE1HSP90AA1MIFESR1
Diphenylmethane SCHEMBL28899035 0.76 OPRK1 (0.36) NUDT1BACE1TSHR
SCHEMBL27548577 0.76 NUDT1 (0.51) NUDT1BACE1HSP90AA1MIFESR1
Ethane SCHEMBL28119304 0.75 NUDT1 (0.44) NUDT1BACE1HSP90AA1MIFESR1

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-104698756-B Positive photosensitive resin composition, pattern forming method, thin film transistor array substrate and liquid crystal display device 奇美实业股份有限公司 2019-03-22 — — CN disclosed
CN-109062007-A positive photosensitive polysiloxane composition and application thereof 奇美实业股份有限公司 2018-12-21 — — CN disclosed
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