SCHEMBL6978042

SCHEMBL6978042

CCOC(=O)CNN(c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.42
POLB P06746 1/20 0.39
RORC P51449 1/20 0.37
TP53 P04637 1/20 0.37
NOTUM Q6P988 1/20 0.37
YAP1 P46937 1/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6978045 0.86 ALDH1A1 (0.35) NR3C1RORCNOTUMYAP1ALDH1A1
SCHEMBL7959305 0.84 NR3C1 (0.42) NR3C1POLBRORCTP53PARP1
SCHEMBL6987763 0.83 NR3C1 (0.47) NR3C1POLBALDH1A1MAPTHPGD
SCHEMBL6980751 0.82 NOTUM (0.44) NR3C1TP53NOTUMPARP1ALDH1A1
SCHEMBL6982684 0.82 KDM1A (0.43) NR3C1TP53NOTUMPARP1ALDH1A1
SCHEMBL7958945 0.80 PDK1 (0.41) NR3C1TP53NOTUMPARP1ALDH1A1
SCHEMBL7962885 0.79 NR3C1 (0.41) NR3C1POLBTP53YAP1PARP1
SCHEMBL6976282 0.79 TP53 (0.44) NR3C1TP53NOTUMALDH1A1MAPT
SCHEMBL6985993 0.78 NR3C1 (0.46) NR3C1POLBTP53ALDH1A1MAPT
SCHEMBL6985609 0.78 NOTUM (0.39) NR3C1TP53NOTUMYAP1PARP1

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
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed