SCHEMBL7318735

SCHEMBL7318735

COc1ccc(S(=O)(=O)Nc2c(OCC(F)(F)F)cccc2C(=O)O)c(Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 5/20 0.40
GAA P10253 3/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
FABP4 P15090 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MRGPRX1 Q96LB2 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL7317223 0.94 GAA (0.41) KMT2AMEN1ALDH1A1GAAMTNR1A
SCHEMBL7322098 0.89 MTNR1A (0.48) KMT2AMEN1GAAMTNR1AMTNR1B
SCHEMBL7317804 0.89 KMT2A (0.54) KMT2AMEN1ALDH1A1GAAMTNR1A
SCHEMBL7314673 0.88 MEN1 (0.48) KMT2AMEN1ALDH1A1GAAMTNR1A
SCHEMBL7325264 0.87 MEN1 (0.47) KMT2AMEN1ALDH1A1GAAMTNR1A
SCHEMBL7325047 0.87 KMT2A (0.46) KMT2AMEN1ALDH1A1GAAMTNR1A
SCHEMBL7315999 0.86 MEN1 (0.46) KMT2AMEN1ALDH1A1GAAMTNR1A
SCHEMBL7318337 0.86 MEN1 (0.46) KMT2AMEN1ALDH1A1GAAMTNR1A
SCHEMBL7312999 0.85 MEN1 (0.45) KMT2AMEN1ALDH1A1GAAMTNR1A
SCHEMBL7315552 0.84 MEN1 (0.48) KMT2AMEN1ALDH1A1GAAMTNR1A

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed