SCHEMBL28012191

SCHEMBL28012191

O=C(O)n1c(F)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 4/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
NOD1 Q9Y239 1/20 0.49
ALDH1A1 P00352 2/20 0.46
IDO1 P14902 1/20 0.46
PKM P14618 3/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
ASAH1 Q13510 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL2461861 0.81 RAB9A (0.53) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL27945131 0.78 KMT2A (0.68) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL21332745 0.78 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6733842 0.78 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL28976493 0.78 NPC1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6126109 0.77 TSHR (0.48) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL15252645 0.77 KMT2A (0.47) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6951818 0.76 KDM4E (0.59) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2794427 0.74 APEX1 (0.51) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4440966 0.74 KMT2A (0.55) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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-104582703-A H4 receptor inhibitors for treating tinnitus SENSORION 2015-04-29 CN disclosed