SCHEMBL7531707

SCHEMBL7531707

O=C(Nc1cccc2ccccc12)c1sccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
KMT2A Q03164 8/20 0.54
MEN1 O00255 5/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
LMNA P02545 2/20 0.50
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 1/20 0.50
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACLY P53396 1/20 0.45
MMP2 P08253 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
SCHEMBL7530687 0.88 HTT (0.48) RECQLKMT2AMEN1ALDH1A1MAPT
SCHEMBL7531380 0.85 HTT (0.52) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7533592 0.83 METAP2 (0.46) RECQLKMT2AMEN1ALDH1A1MAPT
SCHEMBL7531709 0.83 SLC40A1 (0.65) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7537973 0.82 LMNA (0.46) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7531823 0.82 MAPT (0.55) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7537224 0.81 ACLY (0.47) RECQLKMT2AMEN1ALDH1A1MAPT
SCHEMBL7531858 0.80 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7534407 0.80 LMNA (0.56) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7537945 0.80 HPGD (0.67) KMT2AMEN1ALDH1A1MAPTLMNA

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