SCHEMBL7956609

SCHEMBL7956609

CN(C(=O)c1ccccc1)c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
TP53 P04637 2/20 0.42
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
PARP1 P09874 1/20 0.41
TXK P42681 1/20 0.41
ITK Q08881 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL7958965 0.91 IDO1 (0.45) NR3C1TP53ITKPDK1PDK2
SCHEMBL6978699 0.91 POLB (0.48) NR3C1PGRTP53ALDH1A1TSHR
SCHEMBL6982704 0.87 ITGB3 (0.44) TP53ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL6985998 0.86 NR3C1 (0.47) NR3C1TP53ALDH1A1TSHRMEN1
SCHEMBL7958782 0.86 IDO1 (0.45) NR3C1TP53ITKPDK1PDK2
SCHEMBL6984728 0.85 TP53 (0.44) NR3C1PGRTP53ALDH1A1TSHR
SCHEMBL7958945 0.84 PDK1 (0.41) NR3C1TP53ALDH1A1TSHRMEN1
SCHEMBL6977634 0.84 NR3C1 (0.53) NR3C1TP53ALDH1A1TSHRMEN1
SCHEMBL7958691 0.84 ALDH1A1 (0.46) NR3C1TP53ALDH1A1TSHRMEN1
SCHEMBL6986006 0.84 NR3C1 (0.46) NR3C1TP53ALDH1A1TSHRMEN1

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
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