SCHEMBL5801663

SCHEMBL5801663

CC(=O)NCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 2/20 0.64
LMNA P02545 1/20 0.64
MEN1 O00255 1/20 0.61
HDAC1 Q13547 4/20 0.60
EPHX2 P34913 1/20 0.60
NR1H4 Q96RI1 1/20 0.60
HDAC6 Q9UBN7 2/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
MAPT P10636 2/20 0.57

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
SCHEMBL97001 0.88 KMT2A (0.68) KMT2AALDH1A1LMNAMEN1HDAC1
Acetic Acid SCHEMBL10568555 0.86 KMT2A (0.66) KMT2AALDH1A1LMNAMEN1HDAC1
Bromide SCHEMBL30703423 0.86 KMT2A (0.66) KMT2AALDH1A1MEN1HDAC1HDAC6
Hydrochloric Acid SCHEMBL27905582 0.86 KMT2A (0.66) KMT2AALDH1A1LMNAMEN1HDAC1
SCHEMBL12133623 0.85 KMT2A (0.76) KMT2AALDH1A1MEN1HDAC1HDAC6
SCHEMBL25542633 0.85 KMT2A (0.59) KMT2AALDH1A1LMNAMEN1HDAC1
SCHEMBL5437522 0.85 KDM4E (0.59) KMT2AALDH1A1LMNAHDAC1HDAC6
SCHEMBL1730117 0.84 LMNA (0.68) KMT2AALDH1A1LMNAMEN1HDAC1
SCHEMBL6418674 0.84 AOC3 (0.67) KMT2AALDH1A1LMNAHDAC1EPHX2
Cyclopropane SCHEMBL6695009 0.82 KMT2A (0.61) KMT2AALDH1A1MEN1HDAC1HDAC6

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
WO-2006094800-A2 CASCADE REACTION PROCESS SYNTHON B.V. (NL) 2006-09-14 WO disclosed