SCHEMBL6980652

SCHEMBL6980652

O=S(=O)(Nc1cccc2cccnc12)c1cccc(Br)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.76
KMT2A Q03164 5/20 0.76
MEN1 O00255 4/20 0.76
SLC40A1 Q9NP59 12/20 0.72
GLO1 Q04760 8/20 0.72
AGTR1 P30556 2/20 0.72
G6PD P11413 1/20 0.72
NFKBIA P25963 1/20 0.72
METAP2 P50579 1/20 0.72
METAP1 P53582 1/20 0.72
PAX8 Q06710 1/20 0.72
ATM Q13315 1/20 0.72
MITF O75030 1/20 0.64
S1PR4 O95977 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
S1PR1 P21453 1/20 0.64
OPRK1 P41145 1/20 0.64
HTT P42858 1/20 0.64

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
SCHEMBL3825367 0.86 TDP1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL442367 0.84 SLC40A1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL30925492 0.84 GLO1 (0.76) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL6980378 0.84 SLC40A1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL11973852 0.84 SLC40A1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL15508515 0.84 GLO1 (0.76) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL7746129 0.83 SLC40A1 (0.97) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL6979087 0.82 TDP1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL30925462 0.81 SLC40A1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL11973652 0.81 SLC40A1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed