SCHEMBL28099485

SCHEMBL28099485

Cc1cccc(-c2nocc2C(=O)Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.42
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
NR4A2 P43354 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTR7 P34969 1/20 0.38
RIPK2 O43353 1/20 0.38
KMO O15229 2/20 0.38

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
SCHEMBL2280232 0.87 AKR1C2 (0.47) GPBAR1RXRARXRBRXRGNR4A2
SCHEMBL4243317 0.72 GRM5 (0.41)
SCHEMBL6771333 0.72 MAPK13 (0.47) GPBAR1
SCHEMBL27753405 0.71 ACMSD (0.50) IP6K1IP6K3IP6K2ALDH1A1KMO
SCHEMBL11395576 0.70 JAK2 (0.55) L3MBTL1KDM4EALDH1A1HTTHPGD
SCHEMBL27830585 0.70 RXRA (0.41) RXRARXRBRXRGIP6K1IP6K3
SCHEMBL6267437 0.70 PTGS2 (0.58) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL6260456 0.69 PTGS2 (0.56) L3MBTL1KDM4EALDH1A1HTTNPC1
SCHEMBL2468990 0.68 PTGS2 (0.45) GPBAR1RXRARXRBRXRGNR4A2
SCHEMBL7794331 0.68

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
CN-104194386-B A kind of fluorescence increases red and preparation method thereof 上海东升新材料有限公司 2016-09-28 CN disclosed