SCHEMBL10906191

SCHEMBL10906191

CC(C(=O)O)C(C)N(C(=O)c1ccccc1)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ MLYCD O95822 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ XBP1 P17861 1/20 0.38

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
SCHEMBL10907616 0.80 KMT2A (0.44) HSD11B1KMT2AMEN1HDAC1HDAC6
SCHEMBL9557540 0.75 HSD11B1 (0.42) HSD11B1KMT2AMEN1TRPM8MLYCD
SCHEMBL9557948 0.74 HSD11B1 (0.49) HSD11B1KMT2AMEN1TRPM8MLYCD
SCHEMBL10906611 0.73 KMT2A (0.44) HSD11B1KMT2ATRPM8HDAC1HDAC6
SCHEMBL11238921 0.72 PGR (0.46) HSD11B1KMT2AMEN1TRPM8MLYCD
SCHEMBL28307954 0.72 PGR (0.46) HSD11B1KMT2AMEN1TRPM8MLYCD
SCHEMBL11238917 0.72 PGR (0.46) HSD11B1KMT2AMEN1TRPM8MLYCD
SCHEMBL13306912 0.71 KMT2A (0.47) HSD11B1KMT2AMEN1HDAC1HDAC6
SCHEMBL394512 0.71 HSD11B1 (0.53) HSD11B1KMT2ATRPM8MLYCDHPGD
SCHEMBL1003650 0.70 NAMPT (0.55) HSD11B1KMT2AMEN1HDAC1HDAC6

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-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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