SCHEMBL9735668

SCHEMBL9735668

CCNc1ccc(C(=O)OCC)cc1.O=S(=O)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.63
RECQL P46063 1/20 0.63
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
CASP3 P42574 1/20 0.56
TRPV1 Q8NER1 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
RAB9A P51151 6/20 0.55
TSHR P16473 1/20 0.54
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 2/20 0.53
NHERF1 O14745 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
ESR1 P03372 1/20 0.53
CA7 P43166 1/20 0.53

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
SCHEMBL3083718 0.92 HPGD (0.63) HPGDRECQLCA1CA2KMT2A
SCHEMBL9735670 0.85 HPGD (0.60) HPGDRECQLCA1CA2KMT2A
SCHEMBL28593702 0.83 HPGD (0.65) HPGDRECQLCA1CA2KMT2A
SCHEMBL7101006 0.82 MAPT (0.60) HPGDRECQLCA1CA2KMT2A
SCHEMBL13444627 0.82 LMNA (0.61) HPGDRECQLCA1CA2KMT2A
SCHEMBL11399307 0.82 HPGD (0.60) HPGDRECQLCA1CA2KMT2A
SCHEMBL9804183 0.82 HPGD (0.63) HPGDRECQLCA1CA2KMT2A
SCHEMBL31317787 0.79 MAPT (0.58) HPGDRECQLCA1CA2KMT2A
SCHEMBL11378981 0.79 MAPT (0.57) HPGDRECQLCA1CA2KMT2A
SCHEMBL5025348 0.79 LMNA (0.70) HPGDRECQLCA1CA2KMT2A

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
US-5112866-A Sulfonylfluorides as intermediates, also useful in treatment of bone disorders, antisecretory, antiulcer ORTHO PHARMACEUTICAL CORPORATION (US) 1992-05-12 US disclosed
EP-0358438-A2 Ethanesulfonamide derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1990-03-14 EP disclosed