SCHEMBL9703955

SCHEMBL9703955

COc1nc2cc(Cl)c(Cl)cc2nc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
POLB P06746 2/20 0.41
GLP1R P43220 2/20 0.40
NQO2 P16083 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
LMNA P02545 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIK1 P39086 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL9703856 0.86 GRIN2D (0.49) HRH4POLBGLP1RNQO2MMP1
SCHEMBL5189809 0.79 HDAC6 (0.50) HRH4NQO2KDM4EALDH1A1SMN1; SMN2
SCHEMBL7675179 0.78 HRH4 (0.56) HRH4GLP1RNQO2MMP1MMP2
SCHEMBL9703948 0.76 ATM (0.37) GLP1RMMP1MMP2MMP3LMNA
SCHEMBL6603312 0.73 KCNMA1 (0.38) POLBLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL4925379 0.73 HRH4 (0.49) HRH4GLP1RNQO2MMP1MMP2
SCHEMBL7679349 0.72 POLB (0.43) HRH4POLBNQO2HPGDPGK1
SCHEMBL20537546 0.71 HRH4 (0.50) HRH4KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL13850368 0.71 HRH4 (0.50) HRH4KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9703688 0.70 NPC1 (0.45) POLBLMNAHPGDKDM4EALDH1A1

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-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 WO disclosed