SCHEMBL13599541

SCHEMBL13599541

COC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.56
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ HCRTR1 O43613 1/20 0.52
▸ BCL2A1 Q16548 2/20 0.51
▸ BID P55957 1/20 0.51
▸ IL1RN P18510 3/20 0.51
▸ ERAP2 Q6P179 3/20 0.51
▸ TACR1 P25103 2/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL13599544 0.94 MC4R (0.51) MC4RKMT2AMEN1HCRTR1IL1RN
SCHEMBL28058268 0.92 MC4R (0.60) MC4RKMT2ABCL2A1BID
SCHEMBL28058267 0.92 MC4R (0.60) MC4RKMT2ABCL2A1BID
SCHEMBL19444264 0.91 KMT2A (0.51) MC4RKMT2AMEN1HCRTR1BCL2A1
SCHEMBL13604887 0.91 MC4R (0.57) MC4RKMT2ABCL2A1BID
SCHEMBL30028772 0.91 MC4R (0.57) MC4RKMT2ABCL2A1BID
SCHEMBL19444259 0.90 MC4R (0.56) MC4RKMT2ABCL2A1BID
SCHEMBL13599545 0.90 MC4R (0.56) MC4RKMT2ABCL2A1BID
SCHEMBL13599555 0.90 MC4R (0.54) MC4RKMT2AMEN1HCRTR1IL1RN
SCHEMBL781438 0.90 MC4R (0.54) MC4RKMT2AMEN1HCRTR1IL1RN

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340651-B2 Sugar chain-capturing substance and use thereof SUMITOMO BAKELITE COMPANY LIMITED (JP) 2016-05-17 — — US disclosed
US-9340651-B2 Sugar chain-capturing substance and use thereof SUMITOMO BAKELITE COMPANY LIMITED (JP) 2016-05-17 — — US disclosed
US-20140046003-A1 SUGAR CHAIN-CAPTURING SUBSTANCE AND USE THEREOF SUMITOMO BAKELITE COMPANY LIMITED (JP) 2014-02-13 — — US disclosed
US-20140046003-A1 SUGAR CHAIN-CAPTURING SUBSTANCE AND USE THEREOF SUMITOMO BAKELITE COMPANY LIMITED (JP) 2014-02-13 — — US disclosed
US-20090306291-A1 SUGAR CHAIN-CAPTURING SUBSTANCE AND USE THEREOF SUMITOMO BAKELITE CO., LTD. (JP) 2009-12-10 — — US disclosed
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