SCHEMBL366754

SCHEMBL366754

CCCCOC(=O)c1c2ccccc2n2cc(C(C)=O)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
EGFR P00533 1/20 0.44
LMNA P02545 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPK1 P28482 2/20 0.43
ESR1 P03372 1/20 0.43
CYP2D6 P10635 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
PDE4D Q08499 1/20 0.42
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL364770 0.88 ELANE (0.48) LMNACYP1A2CYP2C19MAPK1CYP2D6
SCHEMBL365894 0.86 TSHR (0.48) TSHRL3MBTL1TDP1EGFRLMNA
SCHEMBL366765 0.82 TSHR (0.48) TSHRL3MBTL1TDP1EGFRLMNA
SCHEMBL366753 0.82 KMT2A (0.52) TSHRL3MBTL1TDP1EGFRLMNA
SCHEMBL365762 0.81 ALDH1A1 (0.44) L3MBTL1TDP1SMN1; SMN2ALDH1A1HPGD
SCHEMBL364281 0.81 NR4A2 (0.48) EGFRLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL366000 0.80 ELANE (0.47) TSHRTDP1LMNAESR1ALDH1A1
SCHEMBL367569 0.79 SRC (0.46) EGFRLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL366763 0.79 ALDH1A1 (0.44) TSHRL3MBTL1TDP1EGFRLMNA
SCHEMBL367540 0.79 PSEN1 (0.45) TSHRL3MBTL1TDP1EGFRLMNA

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed