SCHEMBL7652722

SCHEMBL7652722

O=S(=O)(Cl)c1ccc(-c2ccc(N3CCCCC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
RECQL P46063 2/20 0.48
MMP3 P08254 1/20 0.47
MMP8 P22894 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GFER P55789 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CCR6 P51684 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL7652825 0.98 LMNA (0.54) LMNASMN1; SMN2HTTMAPK1MAPT
SCHEMBL9582446 0.94 LMNA (0.58) LMNASMN1; SMN2HTTMAPK1MAPT
SCHEMBL9581858 0.94 LMNA (0.58) LMNASMN1; SMN2HTTMAPK1MAPT
SCHEMBL3176219 0.93 LMNA (0.59) LMNASMN1; SMN2HTTMAPK1MAPT
SCHEMBL6561315 0.84 PKM (0.58) HTTMAPTALDH1A1KDM4EMEN1
SCHEMBL17902921 0.83 ALDH1A1 (0.63) LMNAHTTALDH1A1KDM4EUSP2
SCHEMBL17899709 0.83 KMT2A (0.50) SMN1; SMN2HTTMAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7652732 0.82 LMNA (0.53) LMNASMN1; SMN2HTTMAPK1MAPT
SCHEMBL31013493 0.80 ALDH1A1 (0.62) LMNASMN1; SMN2HTTMAPK1MAPT
Hydrochloric Acid SCHEMBL7652831 0.80 LMNA (0.54) LMNASMN1; SMN2HTTMAPK1MAPT

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-6339092-B1 FOR THERAPY RHEUMATOID ARTHRITIS, ARTHROSIS, TUMOUR INVASION AND GROWTH, INCLUDING MALIGNANT SPREAD AND THE FORMATION OF METASTASES, ULCERATIONS, ATHEROSCLEROSIS ADIR ET COMPAGNIE (FR) 2002-01-15 US disclosed