SCHEMBL9803452

SCHEMBL9803452

NCc1nc2ccc3cccnc3c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
LMNA P02545 5/20 0.46
TP53 P04637 3/20 0.46
CCR1 P32246 3/20 0.46
CCR5 P51681 3/20 0.46
CCR8 P51685 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MMP2 P08253 2/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 2/20 0.46
GMNN O75496 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP2D6 P10635 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
MMP8 P22894 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL2378021 0.81 MAPT (0.44) MAPTLMNATP53CCR1CCR5
SCHEMBL26918441 0.80 MAPT (0.47) MAPTLMNATP53CCR1CCR5
SCHEMBL29265189 0.79 MAPT (0.47) MAPTLMNATP53KDM4ESMN1; SMN2
SCHEMBL88110 0.79 LMNA (0.50) MAPTLMNATP53CCR1CCR5
SCHEMBL29740308 0.79 LMNA (0.50) MAPTLMNATP53CCR1CCR5
SCHEMBL29740307 0.78 LMNA (0.48) MAPTLMNATP53CCR1CCR5
SCHEMBL30677861 0.77 PI4KA (0.42) MAPTLMNATP53CCR1CCR5
SCHEMBL29565883 0.76 PARP1 (0.50) MAPTLMNATP53CCR1CCR5
SCHEMBL8544920 0.76 LMNA (0.50) MAPTLMNATP53CCR1CCR5
SCHEMBL31064745 0.76 MAPT (0.55) MAPTLMNATP53CCR1CCR5

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-5011697-A Applying tryptophane AMERICAN HEALTH FOUNDATION (US) 1991-04-30 US disclosed