SCHEMBL6977875

SCHEMBL6977875

CN(C)C=CC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ PLK1 P53350 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ TNF P01375 4/20 0.58
▸ TNFSF11 O14788 3/20 0.55
▸ HTR6 P50406 5/20 0.55
▸ AKR1C3 P42330 1/20 0.55
▸ AKR1C1 Q04828 1/20 0.55
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HTR1A P08908 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ HTR1D P28221 1/20 0.50
▸ HTR1B P28222 1/20 0.50
▸ HTR1F P30939 1/20 0.50
▸ HTR7 P34969 1/20 0.50
▸ DRD3 P35462 1/20 0.50

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
SCHEMBL6977871 1.00 SMN1; SMN2 (0.64) SMN1; SMN2LMNAPLK1MEN1KMT2A
SCHEMBL15577151 0.81 LMNA (0.73) SMN1; SMN2LMNAPLK1MEN1KMT2A
SCHEMBL28502871 0.80 ALOX5 (0.44) SMN1; SMN2LMNAPLK1TNFHTR6
SCHEMBL30393652 0.79 LMNA (1.00) SMN1; SMN2LMNAPLK1MEN1KMT2A
SCHEMBL949716 0.79 LMNA (1.00) SMN1; SMN2LMNAPLK1MEN1KMT2A
SCHEMBL948989 0.79 AKR1C3 (0.83) SMN1; SMN2LMNAPLK1MEN1KMT2A
SCHEMBL2538347 0.78 ABCG2 (0.57) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL2538344 0.78 ABCG2 (0.57) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL28502706 0.77 ALOX5 (0.41) SMN1; SMN2LMNATNFSF11HTR6HDAC1
SCHEMBL28503608 0.77 PTGDR2 (0.44) LMNAHTR6HDAC1HDAC6HDAC2

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
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 — — EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 — — US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 — — US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 — — EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 — — WO disclosed
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