SCHEMBL7217663

SCHEMBL7217663

CN(Cc1ccccc1)C(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
HDAC4 P56524 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 1/20 0.52
RAB9A P51151 3/20 0.51
RIPK1 Q13546 1/20 0.50
MLYCD O95822 1/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
HSD17B2 P37059 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL21923501 0.79 MLYCD (0.70) KMT2AMEN1HDAC6HDAC1RAB9A
SCHEMBL7217357 0.73 LMNA (0.64) KMT2AMEN1HDAC6HDAC3RAB9A
SCHEMBL7219598 0.73 GLRA3 (0.39) KMT2ARAB9ANPC1ALDH1A1NR1H4
SCHEMBL10350353 0.73 ALOX5 (0.48) RAB9ANPC1ALDH1A1HSP90AA1
SCHEMBL1003665 0.72 KMT2A (0.83) KMT2AMEN1HDAC6HDAC1RAB9A
SCHEMBL180384 0.71 NPC1 (0.73) KMT2AMEN1RAB9ARIPK1HPGD
SCHEMBL16597337 0.71 KMT2A (0.59) KMT2AMEN1HDAC4HDAC6HDAC3
SCHEMBL12265785 0.71 RIPK1 (0.72) KMT2AMEN1RAB9ARIPK1HPGD
SCHEMBL23528960 0.70 CYP2C19 (0.48) KMT2AMEN1HPGDALDH1A1
SCHEMBL1690506 0.70 KMT2A (0.75) KMT2AMEN1HDAC6HDAC1RIPK1

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-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed