SCHEMBL13428293

SCHEMBL13428293

CC[n+]1ccc(/C=C/C=C/c2cc3c4c(c2)CCCN4CCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MEN1 O00255 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RECQL P46063 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ BLM P54132 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ USP2 O75604 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ APOBEC3G Q9HC16 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
SCHEMBL18102250 0.83 KDM4A (0.42) KMT2ARAD52RXFP1MEN1ALDH1A1
SCHEMBL14392935 0.80 KMT2A (0.40) KMT2ARAD52RXFP1MEN1ALDH1A1
SCHEMBL5679470 0.79 CHAT (0.43) KMT2ARAD52RXFP1MEN1ALDH1A1
SCHEMBL10104165 0.79 KMT2A (0.39) KMT2ARAD52RXFP1MEN1ALDH1A1
Iodide SCHEMBL6847802 0.78 CHAT (0.45) KMT2ARAD52RXFP1MEN1ALDH1A1
Iodide SCHEMBL5676545 0.78 CHAT (0.45) KMT2ARAD52RXFP1MEN1ALDH1A1
SCHEMBL13989158 0.76 KMT2A (0.49) KMT2ARAD52RXFP1MEN1ALDH1A1
SCHEMBL14392881 0.76 KMT2A (0.37) KMT2ARAD52RXFP1MEN1ALDH1A1
SCHEMBL10104215 0.75 KMT2A (0.36) KMT2ARAD52RXFP1MEN1ALDH1A1
SCHEMBL15460029 0.75 KMT2A (0.36) KMT2ARAD52RXFP1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8766238-B2 Polymeric anions/cations MERCK PATENT GMBH (DE) 2014-07-01 — — US disclosed
US-20100059740-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2010-03-11 — — US disclosed
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