SCHEMBL9733472

SCHEMBL9733472

CCNC1CCCC(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2N)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.53
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
POLB P06746 2/20 0.42
HSP90AA1 P07900 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
FOXO1 Q12778 1/20 0.37
TOP1 P11387 4/20 0.35
HTT P42858 2/20 0.35
KCNH2 Q12809 1/20 0.35
XBP1 P17861 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 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
SCHEMBL9732573 0.95 PIM1 (0.54) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9731630 0.86 KCNH2 (0.48) ALDH1A1KDM4EPOLBLMNAHPGD
SCHEMBL9730689 0.86 PIM1 (0.51) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9733323 0.85 PIM1 (0.51) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9731522 0.83 LMNA (0.51) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9731403 0.82 PIM1 (0.53) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9732888 0.81 PIM1 (0.52) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9730945 0.81 PIM1 (0.52) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL9733155 0.81 KCNH2 (0.49) ALDH1A1KDM4EPOLBLMNAHPGD
SCHEMBL9732912 0.80 LMNA (0.55) PIM1ALDH1A1KDM4EPOLBHSP90AA1

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
US-5081254-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1992-01-14 US disclosed
US-4929613-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1990-05-29 US disclosed
EP-0306764-A2 4-Quinolone-3-carboxylic-acid derivatives and their use as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-03-15 EP disclosed