SCHEMBL8489605

SCHEMBL8489605

C=C(C)CCc1ccccc1CCNc1ncnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
HTT P42858 4/20 0.58
EGFR P00533 4/20 0.58
APP P05067 2/20 0.58
MAPK1 P28482 2/20 0.58
LDHA P00338 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 3/20 0.52
ALPG P10696 1/20 0.52
S1PR2 O95136 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
AURKA O14965 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
NR2F2 P24468 3/20 0.47
GALR3 O60755 2/20 0.47
TSHR P16473 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
SCHEMBL9608012 0.84 LMNA (0.46) LMNAHTTEGFRAPPMAPK1
SCHEMBL9609092 0.83 LMNA (0.65) LMNAHTTEGFRAPPMAPK1
SCHEMBL8506411 0.82 HTT (0.60) LMNAHTTEGFRAPPMAPK1
SCHEMBL8483442 0.81 HTT (0.67) LMNAHTTEGFRAPPMAPK1
SCHEMBL8485160 0.81 AURKA (0.56) LMNAHTTEGFRAPPMAPK1
SCHEMBL8544118 0.78 HTT (0.65) LMNAHTTEGFRAPPMAPK1
SCHEMBL8497243 0.78 HTT (0.65) LMNAHTTEGFRAPPMAPK1
SCHEMBL8482300 0.78 HTT (0.67) LMNAHTTEGFRAPPMAPK1
SCHEMBL8482194 0.78 LMNA (0.58) LMNAHTTEGFRAPPMAPK1
SCHEMBL8497742 0.78 LMNA (0.58) LMNAHTTEGFRAPPMAPK1

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-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 EP disclosed