SCHEMBL9822728

SCHEMBL9822728

CC1(c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)NC(=O)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.51
LMNA P02545 3/20 0.49
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 4/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
PTGER3 P43115 1/20 0.40
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL9823064 0.82 TLR9 (0.49) TNKSLMNAALDH1A1GAANPC1
SCHEMBL9823335 0.81 LMNA (0.55) TNKSLMNAALDH1A1KDM4EKMT2A
SCHEMBL9822718 0.79 TNKS (0.48) TNKSLMNAALDH1A1KDM4EL3MBTL1
SCHEMBL9823035 0.78 LMNA (0.51) TNKSLMNAKDM4ENPC1RAB9A
SCHEMBL9822749 0.78 LMNA (0.55) TNKSLMNAKMT2AMEN1PTGER3
SCHEMBL542225 0.78 TNKS (0.62) TNKSLMNAALDH1A1KMT2AMAPT
SCHEMBL542484 0.75 LMNA (0.70) TNKSLMNAALDH1A1HPGDKMT2A
SCHEMBL79379 0.74 LMNA (0.57) TNKSLMNAALDH1A1KDM4EHPGD
SCHEMBL29408442 0.74 LMNA (0.57) TNKSLMNAALDH1A1KDM4EHPGD
SCHEMBL30059113 0.74 LMNA (0.57) TNKSLMNAALDH1A1KDM4EHPGD

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