SCHEMBL6981201

SCHEMBL6981201

O=S(=O)(Nc1cccc2cccnc12)c1cccc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 17/20 0.73
TDP1 Q9NUW8 4/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
NFKBIA P25963 3/20 0.73
RELA Q04206 2/20 0.73
GLO1 Q04760 2/20 0.68
G6PD P11413 1/20 0.68
AGTR1 P30556 1/20 0.68
METAP2 P50579 1/20 0.68
METAP1 P53582 1/20 0.68
PAX8 Q06710 1/20 0.68
ATM Q13315 1/20 0.68
MDM4 O15151 1/20 0.67
OPRK1 P41145 1/20 0.67
MDM2 Q00987 1/20 0.67
GAA P10253 1/20 0.65

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
SCHEMBL1507919 0.88 SLC40A1 (0.76) SLC40A1TDP1MEN1KMT2ANFKBIA
SCHEMBL30854809 0.88 SLC40A1 (0.76) SLC40A1TDP1MEN1KMT2ANFKBIA
SCHEMBL30925451 0.84 SLC40A1 (1.00) SLC40A1TDP1MEN1KMT2ANFKBIA
SCHEMBL22116968 0.84 SLC40A1 (0.71) SLC40A1TDP1MEN1KMT2ANFKBIA
SCHEMBL460773 0.84 SLC40A1 (1.00) SLC40A1TDP1MEN1KMT2ANFKBIA
SCHEMBL11973367 0.84 SLC40A1 (1.00) SLC40A1TDP1MEN1KMT2ANFKBIA
SCHEMBL18434290 0.84 SLC40A1 (0.76) SLC40A1TDP1MEN1KMT2ANFKBIA
SCHEMBL11973197 0.84 SLC40A1 (1.00) SLC40A1TDP1MEN1KMT2ANFKBIA
SCHEMBL31676665 0.84 SLC40A1 (1.00) SLC40A1TDP1MEN1KMT2ANFKBIA
SCHEMBL13485955 0.84 SLC40A1 (0.67) SLC40A1TDP1MEN1KMT2ANFKBIA

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 4 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
US-6528187-B1 Luminescence element comprising pair of electrodes having formed therebetween plurality of organic compound thin film layers comprising electron-transporting layer which comprises specified compound FUJI PHOTO FILM CO., LTD. (JP) 2003-03-04 US 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