SCHEMBL7958757

SCHEMBL7958757

CN(c1ccc2c(c1)CCCN2C(=O)CCc1ccc(C#N)cc1)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
NR3C1 P04150 2/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL7958691 0.88 ALDH1A1 (0.46) PARP1NR3C1ALDH1A1HPGDTSHR
SCHEMBL6979942 0.86 TSHR (0.38) PARP1ALDH1A1HPGDTSHRMEN1
SCHEMBL6979149 0.85 PARP1 (0.40) PARP1NR3C1ALDH1A1HPGDTSHR
SCHEMBL6982610 0.84 ALDH1A1 (0.40) PARP1NR3C1ALDH1A1HPGDTSHR
SCHEMBL6985998 0.82 NR3C1 (0.47) PARP1NR3C1ALDH1A1HPGDTSHR
SCHEMBL7956609 0.81 NR3C1 (0.44) PARP1NR3C1ALDH1A1HPGDTSHR
SCHEMBL6984728 0.81 TP53 (0.44) PARP1NR3C1ALDH1A1HPGDTSHR
SCHEMBL6977634 0.80 NR3C1 (0.53) NR3C1ALDH1A1HPGDTSHRMEN1
SCHEMBL6984161 0.80 PARP1 (0.39) PARP1NR3C1ALDH1A1HPGDTSHR
SCHEMBL6986006 0.79 NR3C1 (0.46) PARP1NR3C1ALDH1A1HPGDTSHR

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