SCHEMBL11116041

SCHEMBL11116041

CCc1c(N2CC3CN(C)CC3C2)c(F)cc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.40
HPGD P15428 9/20 0.40
ALDH1A1 P00352 9/20 0.40
HSD17B10 Q99714 8/20 0.40
PMP22 Q01453 1/20 0.40
DRD3 P35462 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALB P02768 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ADRA2B P18089 1/20 0.36
MAPK1 P28482 1/20 0.36
TUBB4A P04350 1/20 0.36
POLB P06746 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36

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
SCHEMBL10755284 0.87 KCNH2 (0.42) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL10753255 0.84 ALDH1A1 (0.41) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL10480220 0.83 KCNH2 (0.39) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL5043939 0.82 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL10757080 0.82 KCNH2 (0.45) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL10480277 0.81 KCNH2 (0.38) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL11106635 0.81 KDM4E (0.39) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL10610892 0.80 KDM4E (0.42) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL11023386 0.79 KCNH2 (0.43) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL10760134 0.79 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10MEN1

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
EP-0106489-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1984-04-25 EP disclosed