SCHEMBL7663045

SCHEMBL7663045

Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.71
LMNA P02545 7/20 0.71
HTT P42858 6/20 0.71
CA12 O43570 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CA4 P22748 1/20 0.69
CA6 P23280 1/20 0.69
CA5A P35218 1/20 0.69
CA7 P43166 1/20 0.69
CA9 Q16790 1/20 0.69
CA5B Q9Y2D0 1/20 0.69
RAB9A P51151 3/20 0.62
ALDH1A1 P00352 2/20 0.62
NR2F2 P24468 1/20 0.62
NPC1 O15118 1/20 0.61
NAMPT P43490 2/20 0.59
PRMT1 Q99873 1/20 0.57
CYP2C19 P33261 1/20 0.56
GAA P10253 2/20 0.54

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
SCHEMBL27083360 0.85 SMN1; SMN2 (0.73) SMN1; SMN2LMNAHTTRAB9AALDH1A1
SCHEMBL3923271 0.83 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHTTRAB9AALDH1A1
SCHEMBL4895465 0.83 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHTTRAB9AALDH1A1
SCHEMBL151655 0.83 KEAP1 (0.76) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL4662893 0.83 SMN1; SMN2 (1.00) SMN1; SMN2LMNAHTTCA12CA1
SCHEMBL5032594 0.81 CYP19A1 (0.73) SMN1; SMN2LMNAHTTRAB9AALDH1A1
SCHEMBL10638309 0.81 CYP2C19 (0.67) SMN1; SMN2LMNAHTTCA12CA1
SCHEMBL3789773 0.81 CA2 (1.00) HTTCA12CA1CA2CA4
SCHEMBL3571824 0.81 SMN1; SMN2 (0.68) SMN1; SMN2LMNAHTTRAB9AALDH1A1
SCHEMBL27083363 0.81 SMN1; SMN2 (0.82) SMN1; SMN2LMNAHTTCA12CA1

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
US-6492398-B1 CYCLIN DEPENDENT KINASE 11 INHIBITORS; PREVENTING OR REDUCING SEVERITY OF EPITHELIAL CYTOTOXICITY SIDE-EFFECTS, E.G. ALOPECIA, PLANTAR-PALMAR SYNDROME, MUCOSITIS INDUCED BY CHEMOPTHERAPY AND/OR RADIATION THERAPY SMITHKLINE BEECHMAN CORPORATION 2002-12-10 US disclosed
EP-1159280-A2 THIAZOLOINDOLINONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2001-12-05 EP disclosed
WO-2000052013-A2 THIAZOLOINDOLINONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2000-09-08 WO disclosed