SCHEMBL28300065

SCHEMBL28300065

CC(C)(C)OC(N)=O.NCCNC1CNC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ARG1 P05089 2/20 0.32
ARG2 P78540 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
BTK Q06187 1/20 0.31
GAA P10253 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
SCHEMBL14625145 0.76
SCHEMBL27850168 0.75 ATM (0.33) MAOAMAOBGAA
SCHEMBL27680771 0.75 ATM (0.33) MAOAMAOB
SCHEMBL5969030 0.72 LMNA (0.34) MAOAMAOB
SCHEMBL785469 0.72 L3MBTL1 (0.36) EPHX1
Ethylenediamine SCHEMBL5093336 0.72 ALOX15 (0.36) MAOAMAOBTDP1GAA
SCHEMBL18834717 0.71 NR1H2 (0.48) EPHX1
SCHEMBL6703644 0.70 SSTR4 (0.32)
SCHEMBL3571988 0.69 EPHX1 (0.59) EPHX1
Piperazine SCHEMBL17912476 0.68 DGAT1 (0.33) MAOAMAOB

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-109897011-A A kind of IDO inhibitor and its application 上海华汇拓医药科技有限公司 2019-06-18 CN disclosed