SCHEMBL9822970

SCHEMBL9822970

CCCCCc1nc2ccc(C3(C)NC(=O)NC3=O)cc2nc1CCCCC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TNKS O95271 1/20 0.39
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP3 P08254 1/20 0.35
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL9823035 0.87 LMNA (0.51) LMNAMEN1KMT2ATNKS
SCHEMBL9823335 0.79 LMNA (0.55) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL9822749 0.76 LMNA (0.55) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL9822728 0.74 TNKS (0.51) LMNAMEN1KMT2ATNKS
SCHEMBL542678 0.72 LMNA (0.52) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL542399 0.70 MEN1 (0.64) LMNAMEN1KMT2AMMP2MMP9
SCHEMBL9694252 0.68 KDM4E (0.44) MEN1KMT2AKCNH2
SCHEMBL9823155 0.68 CYP2C9 (0.55) MEN1KMT2ATNKSMMP2MMP9
SCHEMBL18082993 0.67 NQO2 (0.47) KMT2AKCNH2
SCHEMBL18083009 0.67 NQO2 (0.47) KMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288898-B1 SUBSTITUTED CHINOXALYL-IMIDAZOLIDINE-2,4-DIONES, PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACOLOGICAL PREPARATIONS HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-14 EP disclosed
US-4943576-A ENZYME INHIBITORS HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed