SCHEMBL28158046

SCHEMBL28158046

Cc1cc(C)cc(N2CCC(C=O)N2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ ALOX5 P09917 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL27671224 0.76 ALOX5 (0.41) KMT2AALOX5ADRB1
SCHEMBL28103547 0.73 ADRB2 (0.41) NPSR1SMN1; SMN2
SCHEMBL27873898 0.73 NOTUM (0.36) NPSR1TSHRHTT
SCHEMBL28103270 0.73 ALDH1A1 (0.34) TSHR
SCHEMBL27380663 0.73 ALOX5 (0.44) KMT2AALOX5ADRB1
SCHEMBL28103613 0.73 MGLL (0.37) KMT2ANPSR1SMN1; SMN2
SCHEMBL28039321 0.73 ADRB1 (0.45) ADRB1HTTSMN1; SMN2
SCHEMBL27743313 0.73 ALOX5 (0.48) KMT2AALOX5ADRB1HTTSMN1; SMN2
SCHEMBL28103502 0.72 ALOX5 (0.47) KMT2AALOX5
SCHEMBL28103276 0.71 KDM4E (0.39) —

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-107021928-A New intermediate of eltrombopag olamine and its preparation method and application 常州制药厂有限公司 2017-08-08 — — CN disclosed
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