SCHEMBL11556804

SCHEMBL11556804

O=C(CCl)N1c2ccccc2OCC1CNC(=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HPGD P15428 2/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 2/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MTNR1A P48039 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL11554982 0.86 NR3C1 (0.40) NPC1RAB9ASMN1; SMN2LMNANPSR1
SCHEMBL11556914 0.86 NPC1 (0.39) NPC1RAB9ASMN1; SMN2LMNANPSR1
SCHEMBL11558484 0.86 PDK1 (0.43) NPC1RAB9ASMN1; SMN2LMNANPSR1
SCHEMBL11557128 0.85 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2LMNANPSR1
SCHEMBL11556509 0.85 LMNA (0.42) NPC1RAB9ASMN1; SMN2LMNANPSR1
SCHEMBL11559600 0.84 LMNA (0.40) NPC1RAB9ASMN1; SMN2LMNANPSR1
SCHEMBL11558572 0.84 RORC (0.44) NPC1RAB9ASMN1; SMN2LMNANPSR1
SCHEMBL11562119 0.83 MTNR1A (0.45) GAAPOLBMTNR1AMEN1KMT2A
SCHEMBL11553954 0.82 RORC (0.39) NPC1RAB9ASMN1; SMN2LMNANPSR1
SCHEMBL11560505 0.80 RORC (0.40) NPC1RAB9ASMN1; SMN2LMNANPSR1

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-4134974-A Imidazo[5,1-c][1,4]benzoxazin-1-one CARLO ERBA S. P. A. (IT) 1979-01-16 US disclosed