SCHEMBL366151

SCHEMBL366151

N#CCOc1ccc2c(C(=O)NCc3ccccc3)c3ccccc3n2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.45
SRC P12931 3/20 0.45
PTPN7 P35236 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.41
MAPK14 Q16539 1/20 0.40
MCL1 Q07820 1/20 0.40
TSHR P16473 1/20 0.40
CNR1 P21554 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL365499 0.86 P4HTM (0.38) PTPN7MEN1KMT2AKDM4ELMNA
SCHEMBL364408 0.85 ALDH1A1 (0.44) EGFRMEN1KMT2ANPC1RAB9A
SCHEMBL364900 0.85 PSEN1 (0.39) EGFRKDM4EMAPK1HTTSMN1; SMN2
SCHEMBL366150 0.85 KMT2A (0.48) EGFRSRCPTPN7MEN1KMT2A
SCHEMBL364967 0.84 EGFR (0.49) EGFRSRCKDM4EHTTHPGD
SCHEMBL366362 0.83 SMN1; SMN2 (0.54) EGFRSRCMEN1KMT2ANPC1
SCHEMBL365618 0.83 L3MBTL1 (0.39) MEN1KMT2ANPC1KDM4ELMNA
SCHEMBL364828 0.83 MCL1 (0.37) MCL1
SCHEMBL364973 0.82 KMT2A (0.42) MEN1KMT2AKDM4ESMN1; SMN2LMNA
SCHEMBL366344 0.82 PSEN1 (0.39) MEN1KMT2AKDM4EMAPK1SMN1; SMN2

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