SCHEMBL7465621

SCHEMBL7465621

COC(=O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 7/20 0.43
ALDH3A1 P30838 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
PDK2 Q15119 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL5093436 0.89 LMNA (0.41) MEN1KMT2AALDH1A1ALDH3A1SMN1; SMN2
SCHEMBL3021885 0.83 PTPN1 (0.41) MEN1KMT2AALDH1A1ALDH3A1SMN1; SMN2
SCHEMBL14276995 0.83 PTPN1 (0.42) MEN1KMT2AALDH1A1ALDH3A1SMN1; SMN2
SCHEMBL30154424 0.82 CYP4F2 (0.43) ALDH1A1SMN1; SMN2MAPTGAAPDK2
SCHEMBL2127345 0.82 CYP4F2 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTGAA
SCHEMBL4842048 0.82 CA5A (0.58) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL5738807 0.82 CA5A (0.51) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL2126108 0.82 CYP4F2 (0.43) ALDH1A1SMN1; SMN2MAPTGAAPDK2
SCHEMBL6986744 0.81 ALDH1A1 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL2125942 0.81 LMNA (0.43) ALDH1A1SMN1; SMN2LMNAMAPTGAA

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-0820441-B1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-26 EP disclosed
US-6358992-B1 Method of inhibiting neoplastic cells with indole derivatives CELL PATHWAYS, INC. 2002-03-19 US disclosed
US-6069156-A Indole derivatives as cGMP-PDE inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-30 US disclosed
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed
WO-1996032379-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-17 WO disclosed