SCHEMBL365635

SCHEMBL365635

NC(=O)c1c2ccccc2n2cc(C(=O)C(F)(F)F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
HTT P42858 2/20 0.43
CES1 P23141 1/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
ELANE P08246 1/20 0.36
NPC1 O15118 1/20 0.34
MLYCD O95822 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL365912 0.88 CES1 (0.45) IDO1HTTCES1EGFRSRC
SCHEMBL367764 0.86 EGFR (0.45) HTTEGFRSRCKDM4EHTR2A
SCHEMBL367091 0.83 KMT2A (0.44) HTTEGFRSRCKDM4EELANE
SCHEMBL365259 0.83 KDM4E (0.44) EGFRSRCKDM4EHTR2AHTR2C
SCHEMBL367330 0.82 EGFR (0.46) EGFRSRCKDM4EHTR2AHTR2C
SCHEMBL365634 0.79 CES1 (0.38) IDO1HTTCES1EGFRSRC
SCHEMBL366000 0.78 ELANE (0.47) HTTELANEALDH1A1LMNA
SCHEMBL365000 0.77 HTT (0.42) IDO1HTTCES1KDM4EELANE
SCHEMBL366811 0.77 EGFR (0.44) EGFRSRCKDM4EELANENPC1
SCHEMBL367201 0.77 EGFR (0.45) EGFRSRCKDM4EHTR2AHTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed