SCHEMBL21594482

SCHEMBL21594482

NC1(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC4)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.64
KMT2A Q03164 1/20 0.64
ADRA2B P18089 1/20 0.42
MAPK1 P28482 1/20 0.42
AADAT Q8N5Z0 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TOP2A P11388 8/20 0.41
TOP1 P11387 5/20 0.41
ALB P02768 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TUBB4A P04350 1/20 0.39
POLB P06746 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39

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
SCHEMBL6671002 0.83 TOP1 (0.47) KDM4EKMT2AADRA2BMAPK1AADAT
SCHEMBL10330763 0.81 KDM4E (0.47) KDM4EKMT2AADRA2BMAPK1AADAT
SCHEMBL9872072 0.80 KDM4E (0.63) KDM4EKMT2AAADATALDH1A1HPGD
SCHEMBL9872260 0.79 KDM4E (0.62) KDM4EKMT2AAADATTOP2ATOP1
Pazufloxacin SCHEMBL8386358 0.78 KDM4E (1.00) KDM4EKMT2AAADATALDH1A1HPGD
Pazufloxacin SCHEMBL21074686 0.78 KDM4E (1.00) KDM4EKMT2AAADATALDH1A1HPGD
Pazufloxacin SCHEMBL34460 0.78 KDM4E (1.00) KDM4EKMT2AAADATALDH1A1HPGD
Bromide SCHEMBL9875030 0.78 KDM4E (0.61) KDM4EKMT2AAADATTOP2ATOP1
Pazufloxacin SCHEMBL29381001 0.78 KDM4E (1.00) KDM4EKMT2AAADATALDH1A1HPGD
Pazufloxacin SCHEMBL9872951 0.78 KDM4E (0.98) KDM4EKMT2AAADATALDH1A1HPGD

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
WO-2019238057-A1 APPLICATION OF FSO2N3 IN PREPARATION OF AZIDE 中国科学院上海有机化学研究所 2019-12-19 WO disclosed