SCHEMBL8804629

SCHEMBL8804629

C=Cc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(OC(=O)O)cn(C3CC3)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.62
▸ ALDH1A1 P00352 7/20 0.62
▸ HPGD P15428 7/20 0.62
▸ HSD17B10 Q99714 5/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ KCNH2 Q12809 5/20 0.42
▸ POLB P06746 2/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ LMNA P02545 2/20 0.35
▸ TOP2A P11388 2/20 0.35
▸ TOP2B Q02880 2/20 0.35

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
SCHEMBL6211854 0.90 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9411014 0.90 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9411008 0.90 ALDH1A1 (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9186416 0.89 ALDH1A1 (0.74) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL6212462 0.89 ALDH1A1 (0.69) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL8804623 0.89 ALDH1A1 (0.74) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL9411049 0.89 ALDH1A1 (0.69) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9186427 0.89 ALDH1A1 (0.74) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL6212469 0.89 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7502048 0.89 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0523512-B1 8-vinyl- and 8-ethinyl-quinolone carboxylic acids BAYER AG (DE) 1997-01-15 — — EP disclosed
EP-0523512-A1 8-vinyl- and 8-ethinyl-quinolone carboxylic acids BAYER AG (DE) 1993-01-20 — — EP disclosed
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