SCHEMBL8565877

SCHEMBL8565877

Cc1ccc(S(=O)(=O)N2CCC(Sc3nc4ccccc4n3Cc3cnc(C)o3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
ALDH1A1 P00352 8/20 0.45
LMNA P02545 6/20 0.45
NPSR1 Q6W5P4 4/20 0.45
GAA P10253 4/20 0.45
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 4/20 0.38
USP2 O75604 3/20 0.38
MAPT P10636 3/20 0.38
ALDH3A1 P30838 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9535858 0.82 PKM (0.51) HSD11B1ALDH1A1LMNANPSR1GAA
Sulfamic Acid Cyclohexyl Ester SCHEMBL9302699 0.74 MAPK1 (0.41) ALDH1A1LMNANPSR1MEN1HPGD
Cyclamic Acid SCHEMBL8563768 0.74 MAPK1 (0.43) ALDH1A1LMNAGAAMEN1HPGD
SCHEMBL9564855 0.69 USP2 (0.49) ALDH1A1LMNAHPGDSMN1; SMN2MAPK1
SCHEMBL14263834 0.68 TNF (0.57) ALDH1A1LMNAHPGDSMN1; SMN2PKM
SCHEMBL10797955 0.67 GAA (0.56) HSD11B1ALDH1A1LMNAGAAMEN1
SCHEMBL9536864 0.67 KMT2A (0.53) HSD11B1ALDH1A1LMNANPSR1GAA
SCHEMBL4991751 0.66 LMNA (0.45) ALDH1A1LMNAMEN1HPGDKMT2A
SCHEMBL8563059 0.66 HPGD (0.42) ALDH1A1LMNAHPGDTSHRUSP2
SCHEMBL10798877 0.66 ALDH1A1 (0.57) ALDH1A1LMNAGAAMEN1KMT2A

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-0539421-B1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1998-09-23 EP disclosed
US-5278165-A Oxazolyl imidazol[4,5-b]pyridin and pyrimidine compounds JANSSEN PHARMACEUTICA N.V. (BE) 1994-01-11 US disclosed
US-5217980-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1993-06-08 US disclosed
EP-0539421-A1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-05-05 EP disclosed
WO-1992001687-A1 NOVEL OXAZOLYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-06 WO disclosed