SCHEMBL22018792

SCHEMBL22018792

CCn1c(SCC(=O)NC2=CC=C(F)CC2)nnc1-c1ccc2ncn(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
ALDH1A1 P00352 7/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 2/20 0.45
HTT P42858 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.43
GLA P06280 1/20 0.43
USP2 O75604 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL13832265 0.86 ALDH1A1 (0.60) LMNAALDH1A1MAPTKDM4EPOLB
SCHEMBL14475971 0.83 LMNA (0.60) LMNAALDH1A1MAPTKDM4EPOLB
SCHEMBL13832127 0.82 ALDH1A1 (0.60) LMNAALDH1A1MAPTKDM4EPOLB
SCHEMBL13832084 0.82 ALDH1A1 (0.53) LMNAALDH1A1MAPTKDM4EPOLB
SCHEMBL13832114 0.82 LMNA (0.58) LMNAALDH1A1MAPTKDM4EPOLB
SCHEMBL13832136 0.81 ALDH1A1 (0.69) LMNAALDH1A1MAPTKDM4EPOLB
SCHEMBL13832332 0.81 LMNA (0.58) LMNAALDH1A1MAPTKDM4EPOLB
SCHEMBL13832116 0.80 TP53 (0.56) LMNAALDH1A1MAPTKDM4EPOLB
SCHEMBL13832137 0.74 LMNA (0.41) LMNAALDH1A1MAPTKDM4EPOLB
SCHEMBL13831304 0.73 NPSR1 (0.54) LMNAALDH1A1MAPTPOLBNPSR1

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-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed