SCHEMBL12686276

SCHEMBL12686276

CC1(C)C=CC=C(Nc2nc(Nc3cccc4ccccc34)nc(N3CCOCC3)n2)C=C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
PKM P14618 1/20 0.47
POLB P06746 3/20 0.47
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.42
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
HTR2A P28223 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL3500290 0.75 LMNA (0.61) MAPTLMNASMN1; SMN2HPGDMAPK1
SCHEMBL12686076 0.73 MEN1 (0.71) MAPTLMNASMN1; SMN2HPGDMAPK1
SCHEMBL22737354 0.69 LMNA (0.55) MAPTLMNASMN1; SMN2HPGDMAPK1
SCHEMBL23345483 0.66 MAPT (0.79) MAPTLMNASMN1; SMN2HPGDMAPK1
SCHEMBL17200137 0.65 POLB (0.60) MAPTLMNASMN1; SMN2POLBTP53
SCHEMBL24490451 0.64 HSD17B10 (0.63) MAPTLMNASMN1; SMN2HPGDMAPK1
SCHEMBL29345120 0.64 POLB (0.58) MAPTLMNASMN1; SMN2POLBTP53
SCHEMBL29345146 0.64 LMNA (0.94) MAPTLMNASMN1; SMN2HPGDPOLB
SCHEMBL11810697 0.62 LMNA (1.00) MAPTLMNASMN1; SMN2POLBTP53
SCHEMBL12500068 0.61 PIK3CA (0.81)

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-2012115575-A1 DERIVATIVES FOR INDUCING OSTEOGENIC DIFFERENTIATION BIOMATCELL AB (SE) 2012-08-30 WO disclosed