SCHEMBL28226643

SCHEMBL28226643

c1ccc(-c2cccc(Nc3cccc(-c4ccncc4)c3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.60
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
AR P10275 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
ALK Q9UM73 1/20 0.50
CNR1 P21554 1/20 0.50
SYK P43405 3/20 0.49
EPHX2 P34913 1/20 0.49
MGLL Q99685 1/20 0.48
PRMT6 Q96LA8 1/20 0.47
PRKCI P41743 1/20 0.47
BUB1 O43683 1/20 0.47
KIF11 P52732 1/20 0.47
BRD4 O60885 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
SCHEMBL17250467 0.98 NOTUM (0.58) NOTUMHDAC3HDAC1HDAC2HDAC6
SCHEMBL28226646 0.94 ALK (0.54) NOTUMHDAC3HDAC1HDAC2HDAC6
SCHEMBL29501296 0.87 ALDH1A1 (0.67) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL3181560 0.87 ALDH1A1 (0.67) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL23820568 0.85 ALDH1A1 (0.64) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL2843753 0.85 ALDH1A1 (0.71) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL29475332 0.85 ALDH1A1 (0.71) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL29475330 0.85 ALDH1A1 (0.71) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL25912532 0.85 ALDH1A1 (0.64) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL28226596 0.85 ALK (0.49) NOTUMHDAC3HDAC1HDAC2HDAC6

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
CN-108203405-A Amine derivant of two fluorenes of benzo 9,9 '-spiral shell and preparation method thereof, application and device 武汉尚赛光电科技有限公司 2018-06-26 CN disclosed