SCHEMBL6878147

SCHEMBL6878147

O=S(=O)(O)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.49
GPR119 Q8TDV5 4/20 0.43
LMNA P02545 4/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CA P42336 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
NT5E P21589 1/20 0.41

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
SCHEMBL8193760 0.86 KDM4E (0.60) RORCLMNAALDH1A1KDM4E
SCHEMBL4500240 0.86 GPR119 (0.58) RORCGPR119
SCHEMBL10067757 0.83 RORC (0.48) RORCGPR119USP2MEN1KMT2A
SCHEMBL3122573 0.80 LMNA (0.61) LMNAALDH1A1KDM4EMAPK1HTT
Hydrochloric Acid SCHEMBL27788243 0.79 LMNA (0.59) LMNAALDH1A1KDM4EMAPK1HTT
SCHEMBL2958737 0.76 TDP1 (0.53) LMNAALDH1A1KDM4EUSP2PKM
SCHEMBL12408703 0.76 GPR119 (0.52) RORCGPR119
SCHEMBL16292725 0.76 KDM4E (0.53) RORCLMNAALDH1A1KDM4E
SCHEMBL31402902 0.76 GPR119 (0.52) RORCGPR119
SCHEMBL16309080 0.76 KDM4E (0.53) RORCLMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 WO disclosed