SCHEMBL2818871

SCHEMBL2818871

CCCCOC(=O)Oc1c(C)c(CC)nc2cc(F)c(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
ELANE P08246 5/20 0.34
ESR1 P03372 2/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EIF4A1 P60842 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCNT1 O60563 1/20 0.32
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCND2 P30279 1/20 0.32

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
SCHEMBL2823560 0.89 KMT2A (0.35) KDM4EMAPTKMT2AALDH1A1L3MBTL1
SCHEMBL2823122 0.84 ALDH1A1 (0.38) ATMKDM4EMAPTKMT2AALDH1A1
SCHEMBL2821626 0.84 SMN1; SMN2 (0.34) KDM4EMAPTKMT2AEIF4A1L3MBTL1
SCHEMBL2820005 0.81 ALDH1A1 (0.34) KDM4EMAPTKMT2AALDH1A1L3MBTL1
SCHEMBL2819625 0.81 GAA (0.37) KDM4EMAPTKMT2AALDH1A1L3MBTL1
SCHEMBL2820343 0.80 ELANE (0.34) ATMELANEESR1KDM4EMAPT
SCHEMBL2821628 0.79 SRC (0.34) CCNT1CCNB2CCNE2CDK1CDK4
SCHEMBL2821878 0.78 ELANE (0.33) ATMELANEKDM4EALDH1A1L3MBTL1
SCHEMBL22966207 0.78 KMT2A (0.36) KDM4EMAPTKMT2AALDH1A1L3MBTL1
SCHEMBL2823578 0.77 ALDH1A1 (0.33) KDM4EMAPTKMT2AALDH1A1L3MBTL1

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-1386914-B1 HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS MEIJI SEIKA KAISHA (JP) 2010-10-27 EP disclosed