SCHEMBL10530684

SCHEMBL10530684

COc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4C)cc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ LMNA P02545 4/20 0.59
▸ HPGD P15428 3/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ BRD4 O60885 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TOP2A P11388 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TOP2B Q02880 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CYP2J2 P51589 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45
▸ PIK3CD O00329 2/20 0.45
▸ PIK3R1 P27986 2/20 0.45
▸ PIK3CA P42336 2/20 0.45

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
SCHEMBL10430089 0.91 KDM4E (0.70) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9443488 0.86 KDM4E (0.79) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL48002 0.79 ALDH1A1 (0.51) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10861606 0.79 LMNA (0.82) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10760272 0.79 LMNA (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10658530 0.79 LMNA (0.66) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL30528254 0.77 LMNA (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL29007962 0.76 LMNA (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL29007959 0.76 LMNA (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL29085944 0.76 LMNA (0.50) KDM4EALDH1A1LMNAHPGDHSD17B10

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-0131839-B1 QUINOLINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1989-02-01 — — EP disclosed
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