SCHEMBL6509292

SCHEMBL6509292

Cc1cc(N2CCN(c3ccc(F)cc3)CC2)nc2cc(F)ccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.81
MAPT P10636 10/20 0.81
ALDH1A1 P00352 9/20 0.77
HPGD P15428 5/20 0.77
NPSR1 Q6W5P4 1/20 0.77
L3MBTL1 Q9Y468 4/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
HSD17B10 Q99714 3/20 0.59
TSHR P16473 2/20 0.59
CASP1 P29466 2/20 0.59
CASP7 P55210 2/20 0.59
AHR P35869 1/20 0.59
GAA P10253 5/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 5/20 0.52
GLA P06280 1/20 0.52
MEN1 O00255 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL6509340 0.92 KDM4E (0.70) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL6511778 0.90 KDM4E (0.74) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL6507754 0.87 KMT2A (0.68) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL16299047 0.87 KDM4E (0.67) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL6511759 0.83 KDM4E (0.73) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL6509689 0.77 KMT2A (0.78) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL6510561 0.74 ALDH1A1 (0.68) KDM4EMAPTALDH1A1HPGDL3MBTL1
SCHEMBL31647264 0.71 MAPT (0.64) KDM4EMAPTALDH1A1HPGDNPSR1
SCHEMBL5532732 0.70 KDM4E (0.90) KDM4EMAPTALDH1A1HPGDL3MBTL1
SCHEMBL3971612 0.70 EGFR (0.51) KDM4EMAPTALDH1A1HPGDNPSR1

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-2005087742-A1 METABOLIC KINASE MODULATORS AND METHODS OF USE AS PESTICIDES EXELIXIS, INC. (US) 2005-09-22 WO claimed