SCHEMBL15079141

SCHEMBL15079141

Cc1c2ccccc2[n+](CCC(=O)O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
CYP2D6 P10635 3/20 0.56
HSD17B10 Q99714 3/20 0.56
KDM4E B2RXH2 4/20 0.55
POLB P06746 3/20 0.55
ALDH1A1 P00352 3/20 0.43
MAPT P10636 4/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
PRKCA P17252 5/20 0.37
RECQL P46063 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 2/20 0.37
GMNN O75496 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37

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
Bromide SCHEMBL15056150 0.98 POLB (0.57) TSHRCYP2D6HSD17B10KDM4EPOLB
SCHEMBL16260129 0.86 HSD17B10 (0.42) TSHRCYP2D6HSD17B10KDM4EPOLB
SCHEMBL15079144 0.79 ALDH1A1 (0.46) TSHRCYP2D6HSD17B10KDM4EPOLB
SCHEMBL31718798 0.76 KDM4E (0.44) TSHRCYP2D6HSD17B10KDM4EPOLB
SCHEMBL16260120 0.75 ATM (0.55) TSHRCYP2D6HSD17B10KDM4EPOLB
Bromide SCHEMBL15055992 0.74 MEN1 (0.53) TSHRCYP2D6HSD17B10KDM4EPOLB
SCHEMBL8022993 0.72 KDM4E (0.97) TSHRCYP2D6HSD17B10KDM4EPOLB
SCHEMBL12534827 0.72 CYP2D6 (0.52) TSHRCYP2D6HSD17B10KDM4EPOLB
SCHEMBL12576985 0.72 CYP2D6 (1.00) TSHRCYP2D6HSD17B10KDM4EPOLB
Bromide SCHEMBL10776612 0.71 CYP2D6 (0.97) TSHRCYP2D6HSD17B10KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349297-A1 FLUORESCENT DYES BASED ON ACRIDINE AND ACRIDINIUM DERIVATIVES ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2014-11-27 US disclosed
US-20140349297-A1 FLUORESCENT DYES BASED ON ACRIDINE AND ACRIDINIUM DERIVATIVES ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2014-11-27 US disclosed
WO-2013093481-A1 FLUORESCENT DYES BASED ON ACRIDINE AND ACRIDINIUM DERIVATIVES ALMAC SCIENCES (SCOTLAND) LIMITED (GB) 2013-06-27 WO disclosed