SCHEMBL6596459

SCHEMBL6596459

Cc1cc(C)n(Cc2cc(-c3ccc[n+](CC(=O)c4ccccc4)c3)[nH]n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
PABPC1 P11940 1/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 2/20 0.36
CXCR3 P49682 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADRB2 P07550 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
Hydrochloric Acid SCHEMBL1193919 0.99 KMT2A (0.44) KMT2APABPC1ATMLMNAALDH1A1
SCHEMBL6596219 0.85 MAPT (0.35) KMT2ALMNAALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL1193715 0.85 MAPT (0.34) KMT2ALMNAALDH1A1KDM4EMAPT
SCHEMBL6595239 0.83 SMYD3 (0.35) KMT2ALMNAALDH1A1MAPTRAB9A
Bromide SCHEMBL5359685 0.82 SMYD3 (0.35) KMT2ALMNAALDH1A1MAPTRAB9A
SCHEMBL3689760 0.81 SMN1; SMN2 (0.39) KMT2ALMNAALDH1A1MAPTRAB9A
Bromide SCHEMBL1194391 0.80 SMN1; SMN2 (0.38) KMT2ALMNAALDH1A1MAPTRAB9A
Bromide SCHEMBL6597846 0.80 KMT2A (0.46) KMT2APABPC1ATMLMNAALDH1A1
SCHEMBL6596014 0.79 KMT2A (0.47) KMT2APABPC1ATMLMNAALDH1A1
Bromide SCHEMBL1193597 0.78 KMT2A (0.49) KMT2APABPC1ATMLMNAALDH1A1

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
EP-1373263-B1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS TORRENT PHARMACEUTICALS LTD (IN) 2004-10-27 EP claimed