SCHEMBL8871034

SCHEMBL8871034

O=C(O)[C@@H]1CC(S(=O)(=O)c2ccccc2)C(c2ccccc2F)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
HPGD P15428 1/20 0.33
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
DNMT1 P26358 1/20 0.33
RECQL P46063 1/20 0.33
VCP P55072 1/20 0.33
CASP6 P55212 1/20 0.33
UBE2I P63279 1/20 0.33
MCL1 Q07820 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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 1.00 KMT2A (0.38) KMT2AMEN1CYP3A4CYP2C9MMP3
Hydrochloric Acid SCHEMBL8666991 0.99 KMT2A (0.37) KMT2AMEN1CYP3A4CYP2C9MMP3
SCHEMBL8685324 0.92 L3MBTL1 (0.38) KMT2AMEN1CYP3A4CYP2C9MMP3
SCHEMBL8689402 0.92 MEN1 (0.35) KMT2AMEN1CYP3A4CYP2C9MMP3
Hydrochloric Acid SCHEMBL8689708 0.91 MEN1 (0.35) KMT2AMEN1CYP3A4CYP2C9MMP3
SCHEMBL8684161 0.89 MAPT (0.40) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL8684306 0.89 MEN1 (0.37) KMT2AMEN1CYP3A4CYP2C9NSD2
SCHEMBL8684526 0.87 CYP2C19 (0.43) KMT2AMEN1POLBMAPTL3MBTL1
SCHEMBL8684165 0.86 CYP3A4 (0.43) CYP3A4CYP2C9LMNATSHRRAB9A
SCHEMBL8683694 0.86 KMT2A (0.41) KMT2AMEN1CYP3A4CYP2C9ALDH1A1

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 US disclosed