SCHEMBL10656134

SCHEMBL10656134

c1cnc2c(c1)ccc1nc(Oc3nc4ccc5cccnc5c4[nH]3)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
LMNA P02545 4/20 0.48
TP53 P04637 4/20 0.48
KDM4E B2RXH2 3/20 0.48
CCR1 P32246 3/20 0.48
CCR5 P51681 3/20 0.48
CCR8 P51685 3/20 0.48
MMP2 P08253 2/20 0.48
TSHR P16473 2/20 0.48
CYP3A4 P08684 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GMNN O75496 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CYP2D6 P10635 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
MMP8 P22894 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48

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
SCHEMBL29740308 0.78 LMNA (0.50) MAPTLMNATP53KDM4ECCR1
SCHEMBL9803225 0.78 MAPT (0.55) MAPTLMNATP53KDM4ECCR1
SCHEMBL88110 0.78 LMNA (0.50) MAPTLMNATP53KDM4ECCR1
SCHEMBL31064745 0.78 MAPT (0.55) MAPTLMNATP53KDM4ECCR1
SCHEMBL8544920 0.78 LMNA (0.50) MAPTLMNATP53KDM4ECCR1
SCHEMBL29740307 0.77 LMNA (0.48) MAPTLMNATP53KDM4ECCR1
SCHEMBL9803452 0.74 MAPT (0.46) MAPTLMNATP53KDM4ECCR1
SCHEMBL28407139 0.73 TET2 (0.49) MAPTLMNATP53KDM4ECCR1
SCHEMBL5514516 0.72 MAPT (0.47) MAPTLMNATP53KDM4ECCR1
SCHEMBL3822260 0.72 CA1 (0.50) MAPTLMNATP53KDM4ECCR1

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
US-4775674-A CARDIOTONIC AGENTS BRISTOL-MYERS COMPANY (US) 1988-10-04 US disclosed