SCHEMBL21377331

SCHEMBL21377331

CNCc1cc(C2=CCCCC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.48
MAPK13 O15264 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
MAPK12 P53778 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
PSMB5 P28074 3/20 0.38
HTR1A P08908 4/20 0.37
ACMSD Q8TDX5 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC3 O15379 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDR P35968 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 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
SCHEMBL22920105 0.81 LNPEP (0.51) LNPEPCSNK1DCSNK1EPSMB5ACMSD
SCHEMBL16188025 0.75 PSMB5 (0.46) LNPEPPSMB5ACMSDTDP1NPC1
SCHEMBL15465713 0.72 HDAC1 (0.43) LNPEPPSMB5ACMSDTDP1HDAC1
SCHEMBL27572022 0.72 ACMSD (0.42) LNPEPPSMB5ACMSDTDP1HDAC1
SCHEMBL24092986 0.72 NCF1 (0.44) KCNH2HTR1AACMSDHDAC1HDAC2
SCHEMBL12247662 0.70 DYRK1A (0.42) LNPEPPSMB5ACMSDTDP1KDR
SCHEMBL24572384 0.69 ACMSD (0.56) LNPEPPSMB5ACMSDTDP1HDAC1
SCHEMBL2173463 0.69 KDR (0.51) LNPEPMAPK14PSMB5ACMSDTDP1
SCHEMBL2379783 0.67 ACMSD (0.41) LNPEPKCNH2PSMB5ACMSDTDP1
SCHEMBL15464531 0.67 HDAC1 (0.42) LNPEPACMSDHDAC1HDAC2HDAC3

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-3101015-B1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO LTD (JP) 2019-09-18 EP disclosed