SCHEMBL14224026

SCHEMBL14224026

CNOC(CNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
EPHX2 P34913 1/20 0.50
GPR139 Q6DWJ6 1/20 0.48
GAA P10253 2/20 0.47
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
PRSS1 P07477 2/20 0.43
CTSG P08311 2/20 0.43
CTRB1 P17538 2/20 0.43
CMA1 P23946 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HPGD P15428 1/20 0.43
KCNA3 P22001 1/20 0.43
TACR1 P25103 1/20 0.43

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
SCHEMBL14224123 0.88 MAPT (0.48) SMN1; SMN2NPC1RAB9AKMT2ALMNA
SCHEMBL14224125 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AEPHX2GPR139
SCHEMBL14223781 0.84 MTNR1A (0.53) NPC1RAB9AKMT2A
SCHEMBL27712528 0.81 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AEPHX2GPR139
SCHEMBL28399130 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AEPHX2GPR139
SCHEMBL5709362 0.79 NPC1 (0.67) SMN1; SMN2NPC1RAB9AEPHX2GPR139
SCHEMBL2481230 0.79 NPC1 (0.67) SMN1; SMN2NPC1RAB9AEPHX2GPR139
SCHEMBL19668706 0.77 NPC1 (0.52) SMN1; SMN2NPC1RAB9AEPHX2GPR139
SCHEMBL31530566 0.77 NPC1 (0.73) SMN1; SMN2NPC1RAB9AEPHX2GPR139
SCHEMBL29111412 0.75 NPC1 (0.52) SMN1; SMN2NPC1RAB9AGAAKMT2A

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-7355037-B2 Thermolabile hydroxyl protecting groups and methods of use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-04-08 US disclosed