SCHEMBL19444264

SCHEMBL19444264

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ HCRTR1 O43613 1/20 0.51
▸ TACR1 P25103 5/20 0.49
▸ MC4R P32245 3/20 0.48
▸ NPBWR1 P48145 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ BCL2A1 Q16548 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ APEX1 P27695 1/20 0.46

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
SCHEMBL13599541 0.91 MC4R (0.56) KMT2AMEN1HCRTR1TACR1MC4R
SCHEMBL13599544 0.86 MC4R (0.51) KMT2AMEN1HCRTR1MC4R
SCHEMBL13599546 0.84 IL1RN (0.52) KMT2AMEN1HCRTR1NPBWR1MCHR1
SCHEMBL28058267 0.83 MC4R (0.60) KMT2AMC4RBCL2A1BID
SCHEMBL28058268 0.83 MC4R (0.60) KMT2AMC4RBCL2A1BID
SCHEMBL30028772 0.82 MC4R (0.57) KMT2AMC4RBCL2A1BID
SCHEMBL13604887 0.82 MC4R (0.57) KMT2AMC4RBCL2A1BID
SCHEMBL28235858 0.82 ACE (0.57) KMT2AMC4R
SCHEMBL19444259 0.82 MC4R (0.56) KMT2AMC4RBCL2A1BID
SCHEMBL13599545 0.82 MC4R (0.56) KMT2AMC4RBCL2A1BID

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
EP-2056106-B1 SUGAR CHAIN-CAPTURING SUBSTANCE AND USE THEREOF SUMITOMO BAKELITE CO (JP) 2017-10-11 — — EP disclosed
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