SCHEMBL9201037

SCHEMBL9201037

O=C1c2ccccc2C2(c3ccncc3)OCCN12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
HSD11B1 P28845 2/20 0.40
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KCNQ2 O43526 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.35
CHRM5 P08912 4/20 0.34
PARP1 P09874 2/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL9196127 0.88 NPC1 (0.51) RXFP1NPC1POLBHTTSMN1; SMN2
SCHEMBL9280066 0.83 CHRM5 (0.46) NPC1POLBHTTSMN1; SMN2CYP1A2
SCHEMBL9197464 0.82 NPC1 (0.35) RXFP1NPC1POLBHSD11B1HTT
SCHEMBL9196117 0.80 NPC1 (0.49) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9198807 0.80 CHRM5 (0.47) NPC1POLBHTTSMN1; SMN2CYP1A2
SCHEMBL9197570 0.80 PARP1 (0.43) NPC1POLBHTTSMN1; SMN2KMT2A
SCHEMBL9199731 0.80 NPC1 (0.40) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9200274 0.78 POLB (0.42) NPC1POLBHTTSMN1; SMN2MEN1
SCHEMBL9203731 0.77 HTT (0.47) NPC1POLBHTTSMN1; SMN2CYP1A2
SCHEMBL9200337 0.77 NPSR1 (0.49) NPC1POLBHSD11B1HTTSMN1; SMN2

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
EP-0575425-B1 USE OF OXAZOLO- 2,3-a]ISOINDOLE AND IMIDAZO 2,1-a]ISOINDOLE DERIVATIVES AS ANTIVIRAL DRUGS, AND NEW OXAZOLO 2,3-a]ISOINDOLE DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1995-10-11 EP disclosed