SCHEMBL28418043

SCHEMBL28418043

CC(=O)N1CCN(c2c(F)cc3c(=O)c(CC=O)cn(CCF)c3c2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.58
▸ ALDH1A1 P00352 7/20 0.38
▸ HSD17B10 Q99714 7/20 0.38
▸ HPGD P15428 6/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ ADRA2B P18089 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ALB P02768 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ TUBB4A P04350 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34

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
SCHEMBL28423401 0.89 KDM4E (0.67) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL28415700 0.85 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL28415130 0.77 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL28412320 0.77 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL28412322 0.77 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL28415129 0.77 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL28414785 0.77 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL9636841 0.77 KDM4E (0.71) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL28588152 0.76 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL28559532 0.76 HSD17B10 (0.58) KDM4EALDH1A1HSD17B10HPGDMEN1

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
CN-111303025-A N-acetyl fleroxacin propenone derivative and preparation method and application thereof 郑州工业应用技术学院 2020-06-19 — — CN disclosed
Send feedback