SCHEMBL9426410

SCHEMBL9426410

Cc1cc(C)c2c(C(=O)Oc3ccccc3)c3c(C)cc(C)cc3nc2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 1/20 0.39
NSD2 O96028 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL9282972 0.81 MAPT (0.49) MAPTRAB9ANPSR1TDP1KDM4E
Phosphine SCHEMBL28088577 0.80 MAPT (0.48) MAPTRAB9ANPSR1TDP1KDM4E
SCHEMBL3903336 0.77 PDE10A (0.54) KDM4EPOLBALDH1A1KMT2AMEN1
SCHEMBL9426671 0.76 ALDH1A1 (0.43) MAPTRAB9ANPSR1KDM4EPOLB
SCHEMBL27470580 0.76 POLB (0.49) MAPTRAB9ANPSR1TDP1KDM4E
SCHEMBL9286049 0.76 CYP3A4 (0.55) MAPTRAB9ANPSR1TDP1POLB
SCHEMBL7045154 0.72 MAPT (0.56) MAPTRAB9AKDM4EPOLBNPC1
SCHEMBL5705535 0.72 MAPT (0.50) MAPTRAB9ANPSR1TDP1KDM4E
SCHEMBL7046974 0.71 TP53 (0.59) MAPTRAB9ANPSR1POLBNPC1
SCHEMBL3905891 0.71 POLB (0.38) MAPTRAB9ANPSR1TDP1KDM4E

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-5321136-A Peri substituted fused ring chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-06-14 US disclosed