SCHEMBL30337147

SCHEMBL30337147

N#COc1ccc2ccccc2c1-c1c(OC#N)ccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2A6 P11509 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPRT1 P00492 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NISCH Q9Y2I1 1/20 0.37
WDR5 P61964 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
NQO1 P15559 1/20 0.36

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
SCHEMBL7724729 1.00 MAPT (0.57) MAPTALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL17787362 0.83 MAPT (0.41) MAPTALDH1A1HSD17B10TDP1SLC22A12
SCHEMBL1325259 0.82 MAPT (0.41) MAPTALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL21808830 0.82 CYP1A2 (0.51) MAPTALDH1A1CYP2A6TDP1CYP1A2
SCHEMBL21236770 0.81 MAPT (0.40) MAPTSLC22A12CYP1A2CYP2C9CYP2C19
SCHEMBL7106897 0.81 PTPN22 (0.48) MAPTALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL27498748 0.81 NCEH1 (0.49) MAPTALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL7719474 0.79 HSD17B10 (0.47) MAPTALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL30725930 0.79 HTR1B (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL822708 0.79 HTR1B (0.46) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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-20230106050-A1 RESIN COMPOSITION, CURED PRODUCT, PREPREG, METAL FOIL-CLAD LAMINATE, RESIN SHEET, AND PRINTED WIRING BOARD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-04-06 US disclosed