SCHEMBL13332640

SCHEMBL13332640

CCCn1c(=N)n(Cc2ccccc2)c2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
TSHR P16473 3/20 0.69
SLC5A2 P31639 5/20 0.56
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.52
CXCR3 P49682 1/20 0.52

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
SCHEMBL13332623 0.90 LMNA (0.61) LMNASMN1; SMN2TSHRSLC5A2ALDH1A1
SCHEMBL1170484 0.87 LMNA (1.00) LMNASMN1; SMN2TSHRSLC5A2ALDH1A1
SCHEMBL1521083 0.82 ALDH1A1 (0.59) TSHRALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL23241181 0.81 LMNA (0.67) LMNASMN1; SMN2TSHRSLC5A2ALDH1A1
SCHEMBL3205551 0.78 LMNA (0.67) LMNASMN1; SMN2TSHRSLC5A2ALDH1A1
SCHEMBL11712251 0.77 LMNA (0.67) LMNASMN1; SMN2TSHRSLC5A2ALDH1A1
SCHEMBL2497655 0.77 LMNA (0.79) LMNASMN1; SMN2TSHRSLC5A2ALDH1A1
SCHEMBL2475227 0.77 LMNA (0.79) LMNASMN1; SMN2TSHRSLC5A2ALDH1A1
SCHEMBL23241152 0.77 LMNA (0.61) LMNASMN1; SMN2TSHRSLC5A2ALDH1A1
Bromide SCHEMBL11709807 0.76 LMNA (0.69) LMNASMN1; SMN2TSHRSLC5A2ALDH1A1

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-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 WO disclosed