SCHEMBL10555158

SCHEMBL10555158

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCOCC3CN)c(F)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.56
▸ HSD17B10 Q99714 6/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ HPGD P15428 5/20 0.56
▸ PMP22 Q01453 1/20 0.55
▸ DRD3 P35462 1/20 0.43
▸ AADAT Q8N5Z0 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP2J2 P51589 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ ALB P02768 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CYP2C9 P11712 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
SCHEMBL10514378 0.89 KDM4E (0.54) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8385739 0.86 KCNH2 (0.55) KDM4EHSD17B10ALDH1A1HPGDAADAT
SCHEMBL10473512 0.82 KCNH2 (0.61) KDM4EHSD17B10ALDH1A1HPGDAADAT
SCHEMBL311638 0.81 KDM4E (0.67) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9749343 0.79 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL12819447 0.78 TOP2A (0.52) KDM4EHSD17B10ALDH1A1HPGDAADAT
Hydrochloric Acid SCHEMBL10511578 0.78 KDM4E (0.66) KDM4EHSD17B10ALDH1A1HPGDPMP22
Hydrochloric Acid SCHEMBL9151911 0.77 KDM4E (0.66) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9749919 0.77 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL9142993 0.77 KDM4E (0.64) KDM4EHSD17B10ALDH1A1HPGDPMP22

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
US-4889857-A BACTERICIDES; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-12-26 — — US disclosed
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