SCHEMBL7533735

SCHEMBL7533735

O=C(Nc1ccc(Cl)cc1)c1sccc1NS(=O)(=O)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 1/20 0.49
KDR P35968 1/20 0.47
CCR2 P41597 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
KCNH2 Q12809 1/20 0.46
POLB P06746 1/20 0.46
EDNRA P25101 1/20 0.45
IDH1 O75874 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7532539 0.90 LMNA (0.53) KMT2AMEN1CYP3A4TSHRSMN1; SMN2
SCHEMBL7532769 0.89 MAPT (0.53) KMT2AMEN1CCR2RAB9ASMN1; SMN2
SCHEMBL7537156 0.89 EDNRA (0.51) KMT2ACCR2LMNAKCNH2EDNRA
SCHEMBL7538991 0.88 HTT (0.51) KMT2AMEN1CYP3A4CCR2RAB9A
SCHEMBL7533748 0.88 CCR2 (0.53) KMT2AMEN1CYP3A4KDRCCR2
SCHEMBL7563545 0.85 CCR2 (0.48) KMT2AMEN1CYP3A4CCR2RAB9A
SCHEMBL7539025 0.84 MEN1 (0.62) KMT2AMEN1CYP3A4TSHRKDR
SCHEMBL7538052 0.83 SMN1; SMN2 (0.56) KMT2AMEN1KDRRAB9ASMN1; SMN2
SCHEMBL7537385 0.82 ACLY (0.51) KMT2AMEN1CYP3A4TSHRKDR
SCHEMBL7128109 0.81 MEN1 (0.64) KMT2AMEN1CYP3A4TSHRSMN1; SMN2

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
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO claimed