SCHEMBL8993828

SCHEMBL8993828

C=CCCCCCCCCNc1cc2cccnc2c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 9/20 0.48
▸ HSP90AB1 P08238 9/20 0.48
▸ CCR1 P32246 2/20 0.42
▸ CCR8 P51685 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RAD52 P43351 1/20 0.41
▸ HTR1A P08908 2/20 0.40
▸ ADRA1D P25100 2/20 0.40
▸ ADRA1A P35348 2/20 0.40
▸ ADRA1B P35368 2/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SLC2A1 P11166 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ FGB P02675 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL8993832 0.72 CCR1 (0.43) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL8993821 0.71 MEN1 (0.50) L3MBTL1MEN1KMT2AALDH1A1HTT
SCHEMBL14584275 0.70 CCR1 (0.61) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL11907479 0.70 CCR1 (0.56) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL18788315 0.69 PTPN1 (0.51) CCR1CCR8L3MBTL1MEN1KMT2A
SCHEMBL18788338 0.69 CCR1 (0.51) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL344920 0.68 PTPN1 (0.50) CCR1CCR8L3MBTL1MEN1KMT2A
SCHEMBL18806842 0.68 CCR1 (0.54) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL18806844 0.68 L3MBTL1 (0.54) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1
SCHEMBL8925893 0.68 TLR8 (0.43) HSP90AA1HSP90AB1CCR1CCR8L3MBTL1

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
US-5550241-A Adducts of cyclic carbonyl monomers and substituted alkens EXXON RESEARCH AND ENGINEERING COMPANY (US) 1996-08-27 — — US disclosed
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