SCHEMBL9700308

SCHEMBL9700308

CS(=O)(=O)N1c2ccccc2OCC1CO

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 2/20 0.48
LMNA P02545 5/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
CA2 P00918 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RORC P51449 2/20 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
SCHEMBL9699296 0.88 LMNA (0.52) SMN1; SMN2NPC1LMNAALDH1A1NPSR1
SCHEMBL9699315 0.79 CNR1 (0.47) SMN1; SMN2NPC1LMNAALDH1A1NPSR1
SCHEMBL9699303 0.77 LMNA (0.54) SMN1; SMN2NPC1LMNAALDH1A1NPSR1
SCHEMBL10246396 0.77 NPC1 (0.45) SMN1; SMN2NPC1LMNAALDH1A1NPSR1
SCHEMBL10246492 0.76 KMT2A (0.45) SMN1; SMN2NPC1LMNAALDH1A1NPSR1
SCHEMBL10246205 0.76 NPC1 (0.56) SMN1; SMN2NPC1LMNAALDH1A1NPSR1
SCHEMBL5461727 0.73 NPC1 (0.48) SMN1; SMN2NPC1LMNAALDH1A1MAPT
SCHEMBL8541700 0.73 LMNA (0.64) SMN1; SMN2NPC1LMNAALDH1A1NPSR1
SCHEMBL5461858 0.70 SMN1; SMN2 (0.48) SMN1; SMN2NPC1LMNAALDH1A1NPSR1
SCHEMBL8543224 0.69 LMNA (0.65) SMN1; SMN2NPC1LMNAALDH1A1NPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 US disclosed
US-5109135-A 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates STERLING DRUG INC. (US) 1992-04-28 US disclosed
US-5066803-A Chemical intermediates for analgesics STERLING DRUG INC. (US) 1991-11-19 US disclosed
WO-1990007505-A1 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES STERLING DRUG INC. (US) 1990-07-12 WO disclosed
US-4939138-A 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines STERLING DRUG INC. (US) 1990-07-03 US disclosed