SCHEMBL9832755

SCHEMBL9832755

CCOC(=O)C1(C)C(=O)Nc2cc3[nH]cnc3cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 3/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 3/20 0.34
P2RY14 Q15391 1/20 0.34
ADCY8 P40145 1/20 0.34
FGB P02675 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
SCHEMBL9833648 0.82 AURKA (0.37) POLBALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9835221 0.82 KDM4E (0.37) KMT2APOLBALDH1A1TP53CYP3A4
SCHEMBL9835776 0.80 FABP6 (0.40) KMT2AALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9833681 0.80 AURKA (0.35) KMT2APOLBALDH1A1TP53CYP1A2
SCHEMBL9834977 0.78 KDM4E (0.38) KMT2AALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9832983 0.78 ALDH1A1 (0.38) POLBALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9834509 0.78 KMT2A (0.42) KMT2APOLBALDH1A1TP53CYP1A2
SCHEMBL9834064 0.78 KDM4E (0.43) POLBALDH1A1CYP1A2CYP2C9ALOX15
SCHEMBL10557338 0.77 MAPT (0.36) POLBALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9833417 0.77 HSD17B10 (0.34) ALDH1A1TP53CYP1A2CYP3A4CYP2C9

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