SCHEMBL6507782

SCHEMBL6507782

CCCCc1ccc(CN=C(N)Nc2nc(C)c3ccccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 3/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ALOX12 P18054 2/20 0.46
SIGMAR1 Q99720 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
STAT3 P40763 1/20 0.42
RECQL P46063 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPK1 P28482 1/20 0.42
ATP4A P20648 2/20 0.41
ATP4B P51164 2/20 0.41

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
SCHEMBL6510261 0.86 LMNA (0.52) LMNASMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL6508890 0.81 LMNA (0.48) LMNASMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL6507568 0.80 RAB9A (0.72) LMNASMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL5923401 0.78 CASP6 (0.43) LMNASMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL6507318 0.77 RAB9A (0.46) SMN1; SMN2HPGDMAPTKMT2AMEN1
SCHEMBL6508788 0.75 RAB9A (0.51) LMNASMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL5923541 0.75 ALDH1A1 (0.44) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL17897822 0.75 LMNA (0.58) LMNASMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL5923137 0.72 MEN1 (0.51) LMNASMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL7052853 0.71 LMNA (0.49) LMNASMN1; SMN2ALDH1A1MAPTKMT2A

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-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 WO claimed