SCHEMBL28016929

SCHEMBL28016929

Oc1cccc(Sc2ccccc2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ BLM P54132 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA7 P43166 1/20 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
SCHEMBL10786829 0.85 TSHR (0.54) TSHRMAPTKDM4EMAPK1ALDH1A1
SCHEMBL3791257 0.85 MAPT (0.48) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL487237 0.81 SIRT1 (0.50) TSHRSIRT1MAPTKDM4ENSD2
SCHEMBL11778531 0.80 TSHR (0.56) TSHRALDH1A1DHFRCYP2C9LDHA
SCHEMBL595125 0.79 ALDH1A1 (0.46) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL1158036 0.79 CYP1A2 (0.45) TSHRSIRT1MAPTKDM4ENSD2
SCHEMBL202114 0.76 SIRT1 (0.50) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL2853747 0.76 SIRT1 (0.47) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL16890523 0.76 MAPT (0.42) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL9686145 0.74 CA12 (0.59) SIRT1MAPTKDM4ENSD2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104797567-B Dihydropyrone compound and herbicide containing the same 住友化学株式会社 2017-06-20 — — CN disclosed
CN-104797567-A Dihydropyrone compound and herbicide containing the same SUMITOMO CHEMICAL CO 2015-07-22 — — CN disclosed
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