SCHEMBL8548625

SCHEMBL8548625

Cc1ccc(S(=O)(=O)N2c3ccccc3OCC2CCCl)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
P2RX4 Q99571 1/20 0.46
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.40
MMP2 P08253 1/20 0.40
POLB P06746 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
SCHEMBL8541700 0.89 LMNA (0.64) LMNASMN1; SMN2NPC1ALDH1A1NPSR1
SCHEMBL8543224 0.83 LMNA (0.65) LMNASMN1; SMN2NPC1ALDH1A1NPSR1
SCHEMBL8550744 0.75 NPC1 (0.48) LMNASMN1; SMN2NPC1ALDH1A1NPSR1
SCHEMBL9699303 0.74 LMNA (0.54) LMNASMN1; SMN2NPC1ALDH1A1NPSR1
SCHEMBL25443048 0.74 NPC1 (0.53) LMNASMN1; SMN2NPC1ALDH1A1NPSR1
SCHEMBL9699296 0.73 LMNA (0.52) LMNASMN1; SMN2NPC1ALDH1A1NPSR1
Oxalic Acid SCHEMBL9190729 0.72 NPC1 (0.49) LMNASMN1; SMN2NPC1ALDH1A1NPSR1
SCHEMBL5915332 0.72 SMN1; SMN2 (0.80) LMNASMN1; SMN2NPC1ALDH1A1NPSR1
SCHEMBL12339968 0.68 NPC1 (0.65) LMNASMN1; SMN2NPC1ALDH1A1NPSR1
SCHEMBL5915307 0.68 LMNA (0.78) LMNASMN1; SMN2NPC1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614893-B1 Benzoxazine derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1998-05-27 EP disclosed
US-5447928-A Antiischemic agents and nervous system disorders SYNTHELABO (FR) 1995-09-05 US disclosed
EP-0614893-A1 Benzoazine derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-09-14 EP disclosed