SCHEMBL9730924

SCHEMBL9730924

CCOC(=O)c1cn(C2CC2)c2cc(C3CCN(C(C)=O)CC3)c(F)cc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ ADRB2 P07550 1/20 0.49
▸ HPGD P15428 5/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 1/20 0.43
▸ TOP2A P11388 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TOP2B Q02880 1/20 0.43
▸ PIK3CG P48736 4/20 0.40
▸ PIK3CD O00329 3/20 0.40
▸ PIK3R1 P27986 3/20 0.40
▸ PIK3CA P42336 3/20 0.40
▸ STAT3 P40763 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
SCHEMBL9442762 0.91 ADRB2 (0.52) KDM4EALDH1A1ADRB2HPGDHSD17B10
SCHEMBL9731563 0.91 ADRB2 (0.49) KDM4EALDH1A1ADRB2HPGDHSD17B10
SCHEMBL29576844 0.84 KMT2A (0.60) KDM4EALDH1A1ADRB2HPGDHSD17B10
SCHEMBL4306583 0.84 KMT2A (0.60) KDM4EALDH1A1ADRB2HPGDHSD17B10
SCHEMBL10577000 0.83 KMT2A (0.54) KDM4EALDH1A1ADRB2HPGDHSD17B10
SCHEMBL10413944 0.82 ADRB2 (0.48) KDM4EALDH1A1ADRB2HPGDHSD17B10
SCHEMBL10413945 0.82 ADRB2 (0.48) KDM4EALDH1A1ADRB2HPGDHSD17B10
SCHEMBL10470860 0.80 ADRB2 (0.48) KDM4EALDH1A1ADRB2HPGDHSD17B10
SCHEMBL7579219 0.80 ADRB2 (0.53) KDM4EALDH1A1ADRB2HPGDHSD17B10
SCHEMBL29475787 0.80 ADRB2 (0.53) KDM4EALDH1A1ADRB2HPGDHSD17B10

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
Send feedback