SCHEMBL7012086

SCHEMBL7012086

CCn1c(=O)n(OC(=O)C(F)(F)F)c(=O)c2cc(F)c(N3CCC(N)C3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
ATP6V1B2 P21281 1/20 0.38
TBXA2R P21731 1/20 0.38
EDNRA P25101 1/20 0.38
TARBP2 Q15633 1/20 0.38
KDM1A O60341 2/20 0.38
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
DPP4 P27487 5/20 0.34
DPP7 Q9UHL4 1/20 0.34
EEF2K O00418 2/20 0.34
DYRK1A Q13627 2/20 0.33
PIM3 Q86V86 2/20 0.33
RPS6KB1 P23443 1/20 0.33
MATK P42679 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
AURKB Q96GD4 1/20 0.33
PRKD3 O94806 1/20 0.33

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
SCHEMBL6799643 0.82 KMT2A (0.47) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
Esafloxacin SCHEMBL1344407 0.73 LMNA (0.69) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
Esafloxacin SCHEMBL1231132 0.72 LMNA (0.68) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL6802360 0.71 CKS1B (0.41) KMT2ADPP4PIM3PIM1
SCHEMBL7011369 0.71 PRKD3 (0.43) KMT2ADPP4DPP7DYRK1APIM3
SCHEMBL9824429 0.69 KMT2A (0.45) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL9824535 0.69 KMT2A (0.45) KMT2ALMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL7015648 0.69 PIM1 (0.40) DYRK1APIM3PRKD3PIM1GSK3A
SCHEMBL4515894 0.68 KMT2A (0.48) KMT2AHRH4DPP4DYRK1APIM3
SCHEMBL4515898 0.68 KMT2A (0.48) KMT2AHRH4DPP4DYRK1APIM3

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-1028950-B1 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2003-05-02 EP claimed