SCHEMBL8946357

SCHEMBL8946357

CC(C)c1ccc2c(c1)[C@H]1c3ccccc3N[C@H]1C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KIF11 P52732 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
PDK2 Q15119 1/20 0.33

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
SCHEMBL8946362 1.00 MAPT (0.49) MAPTHPGDKDM4EALDH1A1LMNA
SCHEMBL8946369 1.00 MAPT (0.49) MAPTHPGDKDM4EALDH1A1LMNA
SCHEMBL10380867 0.91 ALDH1A1 (0.43) MAPTHPGDKDM4EALDH1A1LMNA
SCHEMBL8946325 0.78 OPRM1 (0.42) MAPTHPGDKDM4EALDH1A1MAPK1
SCHEMBL8946320 0.78 OPRM1 (0.42) MAPTHPGDKDM4EALDH1A1MAPK1
SCHEMBL8946330 0.78 OPRM1 (0.42) MAPTHPGDKDM4EALDH1A1MAPK1
SCHEMBL8946517 0.78 OPRM1 (0.38) MAPTKDM4EGAAHSD17B10MEN1
SCHEMBL8946515 0.78 OPRM1 (0.38) MAPTKDM4EGAAHSD17B10MEN1
SCHEMBL8946513 0.78 OPRM1 (0.38) MAPTKDM4EGAAHSD17B10MEN1
SCHEMBL8946436 0.78 KIF11 (0.39) ALDH1A1KIF11BRD4CREBBPTNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP claimed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP claimed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO claimed
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed