SCHEMBL11670137

SCHEMBL11670137

CS(=O)(=O)NCc1cc(C(O)CN(CCCCCCN(Cc2ccccc2)CC(O)c2ccc(OCc3ccccc3)c(CNS(C)(=O)=O)c2)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCR5 P51681 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ADRB3 P13945 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ PTPN12 Q05209 1/20 0.36
▸ PTPN13 Q12923 1/20 0.36
▸ SSU72 Q9NP77 1/20 0.36
▸ NR1H3 Q13133 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35

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
SCHEMBL10465029 0.93 ADRB2 (0.40) MEN1KMT2AKCNH2ADRB3HTR7
SCHEMBL11670700 0.84 NR1H3 (0.40) MEN1KMT2AADRB3NR1H3HCRTR2
SCHEMBL11748916 0.83 ELANE (0.40) MEN1KMT2AALDH1A1PRMT5WDR77
SCHEMBL11670459 0.83 MEN1 (0.38) MEN1KMT2ACCR5NR1H3
SCHEMBL10464981 0.79 ADRB2 (0.43) MEN1KMT2AKCNH2ALDH1A1RAB9A
SCHEMBL11670452 0.78 MEN1 (0.39) MEN1KMT2APRMT5WDR77NR1H3
SCHEMBL10464521 0.78 ADRB2 (0.46) MEN1KMT2AKCNH2ALDH1A1RAB9A
SCHEMBL6074837 0.78 ADRB3 (0.50) ADRB3
SCHEMBL7086395 0.77 KMT2A (0.38) MEN1KMT2ACCR5LMNAACP1
SCHEMBL10463996 0.76 MEN1 (0.43) MEN1KMT2ACCR5ALDH1A1RAB9A

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
US-4024281-A N,N-bis[2-(3-substituted-4-hydroxyphenyl)-ethyl or -2-hydroxyethyl]-polymethylenediamines SMITHKLINE CORPORATION (US) 1977-05-17 — — US disclosed
US-3933913-A N,N'-bis[3-substituted-4-hydroxypheyl)-2-hydroxyethyl)]-polymethylenediamines SMITHKLINE CORPORATION (US) 1976-01-20 — — US disclosed
Send feedback