SCHEMBL9225898

SCHEMBL9225898

O=C(O)c1cccnc1C(=O)c1cc2c(F)c(F)c1OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NAPRT Q6XQN6 2/20 0.41
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
DHODH Q02127 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 2/20 0.34
KMT2A Q03164 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
SCHEMBL9222731 0.91 KDM4E (0.46) KDM4ETSHRMAPTALDH1A1CYP3A4
SCHEMBL9230598 0.81 KDM4E (0.51) KDM4ETSHRMAPTALDH1A1CYP3A4
SCHEMBL9540717 0.79 ALDH1A1 (0.41) KDM4EMAPTALDH1A1CYP3A4NPSR1
SCHEMBL7367939 0.75 SRD5A2 (0.57) KDM4ETSHRMAPTALDH1A1CYP3A4
SCHEMBL9230814 0.72 CDK2 (0.32) KDM4EMAPTALDH1A1CYP3A4ASPH
SCHEMBL9230230 0.72 ALDH1A1 (0.41) MAPTALDH1A1ALOX15L3MBTL1DHODH
SCHEMBL10336997 0.71 ALDH1A1 (0.80) KDM4ETSHRMAPTALDH1A1CYP3A4
SCHEMBL9225796 0.71 DHODH (0.34) KDM4EMAPTDHODHSMN1; SMN2LMNA
SCHEMBL7871976 0.70 ALDH1A1 (0.41) KDM4ETSHRMAPTALDH1A1CYP3A4
SCHEMBL8542675 0.69 KDM4E (0.56) KDM4ETSHRMAPTALDH1A1CYP3A4

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
EP-0634413-A1 Herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP disclosed