SCHEMBL9832763

SCHEMBL9832763

CCOC(=O)C1(C)C(=O)Nc2cc3c(cc21)NCN3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADCY8 P40145 1/20 0.36
MAPT P10636 4/20 0.35
FGB P02675 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 2/20 0.32
OPRM1 P35372 1/20 0.32
PDE5A O76074 1/20 0.32

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
SCHEMBL9833652 0.83 ALDH1A1 (0.36) POLBBRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL9833693 0.82 ALDH1A1 (0.36) POLBBRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL9835788 0.82 MAPT (0.36) POLBBRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL9832441 0.81 MAPT (0.41) POLBBRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL9835229 0.80 PGR (0.31) SMN1; SMN2GAA
SCHEMBL9832994 0.80 TP53 (0.34) POLBBRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL9834518 0.80 ALDH1A1 (0.36) POLBBRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL9834982 0.80 ALDH1A1 (0.34) POLBBRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL9834073 0.79 ALDH1A1 (0.34) POLBBRD4ALDH1A1SMN1; SMN2TP53
SCHEMBL9833426 0.78 MAPT (0.34) POLBBRD4ALDH1A1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0214592-B1 PYRROLOBENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE PRODUCTS Roche Diagnostics GmbH (DE) 1991-08-14 EP disclosed
US-4730003-A Tricyclic compounds for treating heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1988-03-08 US disclosed
EP-0214592-A2 Pyrrolobenzimidazoles, process for their preparation and medicaments containing these products Roche Diagnostics GmbH (DE) 1987-03-18 EP disclosed