SCHEMBL8684161

SCHEMBL8684161

O=C(O)C1CC(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(c2ccccc2F)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HSD11B1 P28845 1/20 0.36
MMP2 P08253 2/20 0.35
ALDH1A1 P00352 5/20 0.34
GAA P10253 3/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL8666857 0.89 KMT2A (0.38) MAPTRAB9AMMP2ALDH1A1MMP9
SCHEMBL8871034 0.89 KMT2A (0.38) MAPTRAB9AMMP2ALDH1A1MMP9
Hydrochloric Acid SCHEMBL8666991 0.88 KMT2A (0.37) MAPTRAB9AALDH1A1KMT2AL3MBTL1
SCHEMBL8685324 0.86 L3MBTL1 (0.38) MAPTCA2KMT2AL3MBTL1MEN1
SCHEMBL8689402 0.86 MEN1 (0.35) MAPTMMP2ALDH1A1HTTMMP9
Hydrochloric Acid SCHEMBL8689708 0.85 MEN1 (0.35) MAPTMMP2ALDH1A1HTTMMP9
SCHEMBL8686069 0.83 RAB9A (0.38) MAPTNPC1RAB9ACASP3SENP8
SCHEMBL8684526 0.81 CYP2C19 (0.43) MAPTSMN1; SMN2GAAHTTKMT2A
SCHEMBL8684306 0.81 MEN1 (0.37) MAPTNPC1RAB9ASENP8SENP7
SCHEMBL8683694 0.78 KMT2A (0.41) MAPTRAB9AALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716936-A Pyrrolidine derivatives for the treatment of cholecystokinine and gastrine-related disorders RHONE-POULENC RORER S.A. (FR) 1998-02-10 US disclosed