SCHEMBL9524047

SCHEMBL9524047

O=C(O)Oc1cn(C2CC2)c2cc(N3CCNC4(CC4)C3)c(F)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ LMNA P02545 4/20 0.57
▸ HPGD P15428 3/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ TOP2A P11388 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ TOP2B Q02880 1/20 0.57
▸ MAPT P10636 1/20 0.48
▸ PIK3CG P48736 7/20 0.43
▸ PIK3CD O00329 5/20 0.43
▸ PIK3R1 P27986 5/20 0.43
▸ PIK3CA P42336 5/20 0.43
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CASP9 P55211 1/20 0.41
▸ BAX Q07812 1/20 0.41

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
SCHEMBL8775530 0.88 KDM4E (0.74) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL1857925 0.86 KDM4E (0.76) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL9808640 0.85 KDM4E (0.74) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10514904 0.84 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10513004 0.83 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9370629 0.83 KDM4E (0.61) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10655445 0.83 KDM4E (0.60) KDM4EALDH1A1LMNAHPGDHSD17B10
Ciprofloxacin SCHEMBL7763708 0.82 KDM4E (0.85) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10808537 0.82 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9381623 0.82 KDM4E (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-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 — — EP claimed
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