SCHEMBL9720766

SCHEMBL9720766

Cc1ccc(-c2nc(CNCCc3ccccc3)c(C)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
VSIR Q9H7M9 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP13 P45452 1/20 0.40
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
SSTR3 P32745 1/20 0.40
EPHX2 P34913 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 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
SCHEMBL9720872 0.88 VSIR (0.45) SMN1; SMN2MAPTVSIRMEN1KMT2A
SCHEMBL9720698 0.82 GRIN2B (0.41) SMN1; SMN2MAPTVSIRTNKSPARP1
SCHEMBL9720791 0.80 SMPD3 (0.40) VSIRMEN1KMT2ATNKSPARP1
SCHEMBL9720663 0.78 HRH4 (0.44) SMN1; SMN2VSIRMEN1KMT2A
SCHEMBL9720691 0.76 NPSR1 (0.40) MAPTMEN1KMT2AMMP2MMP9
SCHEMBL8973605 0.74 PIN1 (0.46) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL9720685 0.72 KDM4E (0.39) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL27071533 0.72 GAA (0.74) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL19245652 0.72 GAA (0.74) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL8963868 0.72 DRD2 (0.63) SMN1; SMN2MAPTDRD2DRD4DRD3

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
US-5142052-A Cationic effect-driven carbinol/amine reaction LABORATOIRES SYNTEX (FR) 1992-08-25 US disclosed