SCHEMBL18678992

SCHEMBL18678992

Cc1nc(NCCN)nc(NCCNc2nc(NCCC(=O)O)nc(NCCC(C)(C)N)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CA12 O43570 3/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA14 Q9ULX7 3/20 0.38
▸ CRHBP P24387 2/20 0.36
▸ CRHR2 Q13324 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ PI4KB Q9UBF8 1/20 0.33
▸ KDM6B O15054 2/20 0.31
▸ SYK P43405 2/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ ZAP70 P43403 1/20 0.31
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31

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
SCHEMBL18467403 0.93 KDM4E (0.53) KDM4EKMT2AALDH1A1HSD17B10CA12
SCHEMBL17826475 0.89 KDM4E (0.57) KDM4EKMT2AALDH1A1HSD17B10CA12
SCHEMBL18679859 0.89 KDM4E (0.57) KDM4EKMT2AALDH1A1HSD17B10CA12
SCHEMBL17826467 0.89 KDM4E (0.57) KDM4EKMT2AALDH1A1HSD17B10CA12
SCHEMBL18680197 0.89 KDM4E (0.57) KDM4EKMT2AALDH1A1HSD17B10CA12
SCHEMBL18466786 0.88 KDM4E (0.58) KDM4EKMT2AALDH1A1HSD17B10CA12
SCHEMBL18467402 0.86 GAA (0.35) KMT2AGAA
SCHEMBL18466757 0.82 KDM4E (0.52) KDM4EKMT2AALDH1A1HSD17B10CA12
SCHEMBL18466785 0.76 KMT2A (0.50) KDM4EKMT2AALDH1A1CA12CA1
SCHEMBL17564312 0.76 KMT2A (0.50) KDM4EKMT2AALDH1A1CA12CA1

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
US-20170088671-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2017-03-30 — — US disclosed
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