SCHEMBL29272467

SCHEMBL29272467

CC(OC(F)F)c1ccnc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4C Q9H3R0 4/20 0.45
ASPH Q12797 3/20 0.45
KDM8 Q8N371 3/20 0.45
KDM5A P29375 3/20 0.45
KDM5B Q9UGL1 3/20 0.45
KDM6B O15054 1/20 0.45
TET3 O43151 1/20 0.45
KDM4A O75164 1/20 0.45
BBOX1 O75936 1/20 0.45
MAPT P10636 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4D Q6B0I6 1/20 0.45
TET2 Q6N021 1/20 0.45
ALKBH5 Q6P6C2 1/20 0.45
KDM7A Q6ZMT4 1/20 0.45
TET1 Q8NFU7 1/20 0.45
EGLN2 Q96KS0 1/20 0.45
FTO Q9C0B1 1/20 0.45

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
SCHEMBL30236990 1.00 KDM4E (0.47) KDM4EALDH1A1KDM4CASPHKDM8
SCHEMBL29272095 0.85 ALDH1A1 (0.42) KDM4EALDH1A1KDM4CKDM6BMAPT
SCHEMBL30236783 0.85 ALDH1A1 (0.42) KDM4EALDH1A1KDM4CKDM6BMAPT
SCHEMBL25687802 0.82 KDM4E (0.55) KDM4EALDH1A1KDM4CASPHKDM8
SCHEMBL29272132 0.80 KDM4E (0.49) KDM4EALDH1A1KDM4CASPHKDM8
SCHEMBL31032209 0.80 KDM4E (0.49) KDM4EALDH1A1KDM4CASPHKDM8
SCHEMBL10872507 0.79 KDM4E (0.54) KDM4EALDH1A1KDM4CASPHKDM8
SCHEMBL101547 0.79 KDM4E (0.55) KDM4EALDH1A1KDM4CASPHKDM8
SCHEMBL12258250 0.77 KDM4E (0.56) KDM4EALDH1A1KDM4CASPHKDM8
SCHEMBL31032261 0.76 KDM4E (0.52) KDM4EALDH1A1KDM4CASPHKDM8

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-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed