SCHEMBL20051535

SCHEMBL20051535

O=C(O)C(NI)C1CCN(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 1/20 0.42
ME3 Q16798 2/20 0.42
TFPI2 P48307 1/20 0.42
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.40
ADAM10 O14672 1/20 0.40
ERBB2 P04626 1/20 0.40
MMP2 P08253 1/20 0.40
POLB P06746 1/20 0.40
HDAC4 P56524 2/20 0.40

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
SCHEMBL22552788 0.76 NOTUM (0.50) NOTUMSMN1; SMN2EPHX2TFPI2MBTD1
SCHEMBL21397342 0.76 NOTUM (0.50) NOTUMSMN1; SMN2TFPI2MBTD1L3MBTL3
SCHEMBL2557623 0.76 NOTUM (0.50) NOTUMSMN1; SMN2EPHX2TFPI2MBTD1
SCHEMBL2554913 0.76 GPR119 (0.54) GPR119KMT2AMMP2
SCHEMBL22552563 0.75 ITGB3 (0.48) SMN1; SMN2ME3ALDH1A1POLB
SCHEMBL22552564 0.75 ITGB3 (0.48) SMN1; SMN2ME3ALDH1A1POLB
SCHEMBL7160514 0.73 MBTD1 (0.52) NOTUMTFPI2MBTD1L3MBTL3L3MBTL1
SCHEMBL10360107 0.73 NOTUM (0.50) NOTUMSMN1; SMN2EPHX2TFPI2MBTD1
SCHEMBL8698089 0.72 ITGB3 (0.43) TSHR
SCHEMBL18155148 0.72 L3MBTL1 (0.50) NOTUMSMN1; SMN2MBTD1L3MBTL3L3MBTL1

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
WO-2018066545-A1 HETEROCYCLIC COMPOUND 公益財団法人ヒューマンサイエンス振興財団 2018-04-12 WO disclosed