SCHEMBL6247201

SCHEMBL6247201

CSc1nc2ccccc2c(=O)n1Cc1ccco1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 14/20 0.73
ALDH1A1 P00352 12/20 0.73
LMNA P02545 8/20 0.73
HSD17B10 Q99714 2/20 0.73
ALOX15 P16050 1/20 0.73
CYP1A2 P05177 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
SMN1; SMN2 Q16637 8/20 0.69
NPSR1 Q6W5P4 4/20 0.67
MAPT P10636 2/20 0.67
GAA P10253 1/20 0.64
KDM4E B2RXH2 1/20 0.64
POLB P06746 1/20 0.64
PKM P14618 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TP53 P04637 1/20 0.63
MAPK1 P28482 3/20 0.62
HTT P42858 3/20 0.62

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
SCHEMBL6247200 0.88 CYP1A2 (0.73) TSHRALDH1A1LMNAHSD17B10ALOX15
SCHEMBL15837498 0.83 TSHR (0.74) TSHRALDH1A1LMNAHSD17B10ALOX15
SCHEMBL5025892 0.81 LMNA (0.66) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL9671587 0.74 PDE7A (0.69) TSHRALDH1A1LMNAHSD17B10ALOX15
SCHEMBL18029436 0.74 TDP1 (0.63) TSHRALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL22720191 0.73 ALDH1A1 (0.65) TSHRALDH1A1LMNAHSD17B10ALOX15
Iodide SCHEMBL2722495 0.72 CA12 (0.57) TSHRALDH1A1LMNACYP1A2CYP2C9
SCHEMBL30774061 0.72 L3MBTL1 (0.75) TSHRALDH1A1LMNAHSD17B10ALOX15
SCHEMBL19487245 0.71 LMNA (0.77) TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL10288927 0.71 CA12 (0.58) TSHRALDH1A1LMNACYP1A2CYP2C9

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
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed