SCHEMBL9701624

SCHEMBL9701624

Cc1ccc(S(=O)(=O)OCC2COc3ccccc3N2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
LMNA P02545 4/20 0.43
MOGAT2 Q3SYC2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP19A1 P11511 1/20 0.35
VDR P11473 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
STAT3 P40763 1/20 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
SCHEMBL6414324 0.81 LMNA (0.38) GAALMNASMN1; SMN2POLBALDH1A1
SCHEMBL450129 0.81 CYP2D6 (0.39) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL15878904 0.81 CYP2D6 (0.39) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL450130 0.81 CYP2D6 (0.39) LMNAALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL3214114 0.81 LMNA (0.37) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL9701618 0.80 GAA (0.45) GAALMNAMOGAT2SMN1; SMN2POLB
SCHEMBL6414083 0.79 PRMT5 (0.39) LMNASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL3205140 0.77 ALDH1A1 (0.34) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL3214074 0.77 ALDH1A1 (0.34) LMNASMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL567428 0.76 LMNA (0.64) LMNASMN1; SMN2POLBALDH1A1MAPK1

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