SCHEMBL3974121

SCHEMBL3974121

C#COc1ccc(-c2cccc3[nH]nnc23)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
MGAM O43451 3/20 0.35
SI P14410 3/20 0.35
MGAM2 Q2M2H8 3/20 0.35
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NOTUM Q6P988 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HAO1 Q9UJM8 1/20 0.30

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
SCHEMBL9801810 0.81 GAA (0.44) GAAMGAMSIMGAM2LMNA
SCHEMBL30058937 0.81 GAA (0.44) GAAMGAMSIMGAM2LMNA
SCHEMBL11468152 0.78 MAPT (0.36) GAAMGAMSIMGAM2LMNA
SCHEMBL3974124 0.77 MEN1 (0.31) MEN1KMT2A
SCHEMBL15766019 0.77 MAPT (0.41) GAAMGAMSIMGAM2LMNA
SCHEMBL29501455 0.76 MGAM (0.43) GAAMGAMSIMGAM2TP53
SCHEMBL83054 0.76 MGAM (0.43) GAAMGAMSIMGAM2TP53
SCHEMBL4025305 0.75 KIT (0.35) GAAMGAMSIMGAM2LMNA
SCHEMBL4073935 0.75 KMT2A (0.43) GAAMGAMSIMGAM2LMNA
SCHEMBL28889443 0.75 ELANE (0.38) GAAMGAMSIMGAM2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828270-B1 NANOHYBRID POLYMERS FOR OPHTHALMIC APPLICATIONS KEY MEDICAL TECHNOLOGIES INC (US) 2013-04-10 EP claimed
EP-1664855-B1 PROCESS FOR MANUFACTURING INTRAOCULAR LENSES WITH BLUE LIGHT ABSORPTION CHARACTERISTICS BAUSCH & LOMB (US) 2009-03-11 EP claimed