Ethane

Ethane

SCHEMBL28790923

C=CC(c1ccc(C)cc1)S(=O)(=O)N1CCN(c2ccc(CN)cc2)CC1.CC

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ HSD11B1 P28845 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ MAPT P10636 4/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ TPSAB1 Q15661 1/20 0.34
▸ CYP17A1 P05093 1/20 0.34
▸ CYP21A2 P08686 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34

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
SCHEMBL27736333 0.80 TSHR (0.35) CA1CA2CA7CA9MAPT
SCHEMBL17876410 0.74 ADRB1 (0.52) MEN1KMT2ACA1CA2CA7
SCHEMBL27691091 0.71 PKM (0.33) MEN1KMT2ACA1CA2LMNA
SCHEMBL27868179 0.71 LMNA (0.41) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL28794199 0.71 THRB (0.39) MAPTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL27871318 0.69 CYP2C19 (0.39) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL28765618 0.69 CHRM2 (0.41) LMNAKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL28818277 0.68 PSIP1 (0.35) CA1CA2CA7CA9
SCHEMBL27856475 0.68 USP2 (0.54) KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL28946823 0.68 HTR6 (0.53) KDM4ESMN1; SMN2

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-102239152-B Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP. (JP) 2014-10-29 — — CN disclosed
CN-102239152-A Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP 2011-11-09 — — CN disclosed
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