SCHEMBL11220009

SCHEMBL11220009

CCOS(=O)(=O)Cc1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 6/20 0.40
RAB9A P51151 5/20 0.40
MEN1 O00255 5/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 1/20 0.38
PPARG P37231 5/20 0.38
PPARA Q07869 4/20 0.38
PPARD Q03181 3/20 0.38
CHRNA7 P36544 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37

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
Benzene SCHEMBL28852658 0.84 KMT2A (0.57) KMT2APKMHTTALDH1A1HPGD
SCHEMBL354454 0.84 KMT2A (0.57) KMT2APKMHTTALDH1A1HPGD
SCHEMBL11220047 0.83 KMT2A (0.47) KMT2APOLBCYP2D6MAPTRAB9A
SCHEMBL11888404 0.77 POLB (0.53) KMT2APOLBCYP2D6MAPTRAB9A
SCHEMBL4681715 0.75 CA1 (0.48) KMT2APOLBMAPTMEN1ALDH1A1
SCHEMBL11209267 0.74 POLB (0.46) KMT2APOLBCYP2D6MAPTRAB9A
SCHEMBL11209277 0.74 POLB (0.46) KMT2APOLBCYP2D6MAPTRAB9A
SCHEMBL27549032 0.74 YAP1 (0.41) KMT2APOLBMAPTMEN1L3MBTL1
SCHEMBL28377908 0.74 L3MBTL1 (0.44) KMT2APOLBMAPTMEN1L3MBTL1
SCHEMBL11220017 0.74 POLB (0.58) KMT2APOLBCYP2D6MAPTRAB9A

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-4337194-A MULTISTEP, WITH PURIFICATION BY WASHING AFTER EACH COUPLING C. M. INDUSTRIES (FR) 1982-06-29 US disclosed