SCHEMBL28291686

SCHEMBL28291686

CCC(=O)c1ccn(-c2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 1/20 0.49
CHRNA7 P36544 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
UBE2N P61088 4/20 0.42
MEN1 O00255 1/20 0.42
HDAC3 O15379 1/20 0.41
NCOR1 O75376 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MAPT P10636 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
KCNH2 Q12809 1/20 0.39
ACKR3 P25106 1/20 0.39
USP2 O75604 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
SCHEMBL1062877 0.84 ELOVL1 (0.50) L3MBTL1KDM4ENPC1RAB9ALMNA
SCHEMBL19778587 0.82 KMT2A (0.54) KMT2AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL15754826 0.81 NPC1 (0.60) KMT2AL3MBTL1KDM4ECHRNA7NPC1
SCHEMBL14150735 0.80 KMT2A (0.64) KMT2AL3MBTL1KDM4EUBE2NMEN1
SCHEMBL168402 0.79 KMT2A (0.54) KMT2AL3MBTL1KDM4EUBE2NHDAC3
SCHEMBL13832646 0.77 KDM4E (0.50) KMT2AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL168303 0.77 L3MBTL1 (0.49) KMT2AL3MBTL1KDM4ENPC1RAB9A
SCHEMBL24380270 0.77 CA1 (0.52) KMT2ACHRNA7NPC1RAB9ALMNA
SCHEMBL30882479 0.72 HPGDS (0.49) KMT2AKDM4ECHRNA7NPC1RAB9A
SCHEMBL5962907 0.72 SCN4A (0.49) KMT2AL3MBTL1KDM4E

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-109641890-A Isocitric dehydrogenase (IDH) inhibitor 上海迈同生物科技有限公司 2019-04-16 CN disclosed