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SCHEMBL19458462

SCHEMBL19458462

C=C(C)C(=O)NCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCNC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CBLB Q13191 7/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HTT P42858 1/20 0.35
▸ DNM1 Q05193 5/20 0.34
▸ PAOX Q6QHF9 2/20 0.33
▸ ADRA1A P35348 1/20 0.32

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
SCHEMBL18327380 1.00 CBLB (0.42) CBLBKDM4EMAPK1HIF1AKMT2A
SCHEMBL23375507 1.00 CBLB (0.42) CBLBKDM4EMAPK1HIF1AKMT2A
SCHEMBL18327379 1.00 CBLB (0.42) CBLBKDM4EMAPK1HIF1AKMT2A
SCHEMBL21783321 0.98 CBLB (0.43) CBLBKDM4EMAPK1HIF1AKMT2A
SCHEMBL16799240 0.93 HTT (0.48) KMT2AHTTDNM1
SCHEMBL5713236 0.93 HTT (0.48) KMT2AHTTDNM1
SCHEMBL290065 0.93 HTT (0.48) KMT2AHTTDNM1
SCHEMBL16798891 0.93 HTT (0.48) KMT2AHTTDNM1
SCHEMBL13766065 0.93 HTT (0.48) KMT2AHTTDNM1
SCHEMBL15579565 0.93 HTT (0.48) KMT2AHTTDNM1

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-9790338-B2 Ion exchange membrane and method for manufacturing the same FUJIFILM CORPORATION (JP) 2017-10-17 — — US disclosed