SCHEMBL10404697

SCHEMBL10404697

CCOC(=O)c1c(=O)c2cc(F)c(N3CCNCC3)cc2n2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
KDM4E B2RXH2 9/20 0.49
HPGD P15428 6/20 0.49
HSD17B10 Q99714 5/20 0.49
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
BRD4 O60885 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
CYP2J2 P51589 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APAF1 O14727 1/20 0.43
MAPT P10636 1/20 0.43
G6PD P11413 1/20 0.43
PABPC1 P11940 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43

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
SCHEMBL10385856 0.90 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10404359 0.85 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10385637 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9522474 0.79 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9522727 0.78 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9233572 0.78 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL1699575 0.77 LMNA (0.55) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL10404129 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL1243899 0.76 MEN1 (0.50) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL9232592 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4923868-A BACTERICIDES AMERICAN CYANAMID COMPANY (US) 1990-05-08 US claimed