SCHEMBL28299991

SCHEMBL28299991

COP(O)(=S)Oc1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 1/20 0.36
NOTUM Q6P988 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34

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
SCHEMBL30320756 0.90 TSHR (0.41) KDM4EATMTDP1L3MBTL1MEN1
SCHEMBL28286381 0.83 KDM4E (0.36) KDM4EATMTDP1L3MBTL1MEN1
SCHEMBL10455276 0.82 TSHR (0.41) KDM4EATMTDP1L3MBTL1MEN1
SCHEMBL27999243 0.80 KDM4E (0.37) KDM4EATMTDP1L3MBTL1MEN1
SCHEMBL28199843 0.79 KDM4E (0.37) KDM4EMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL27783014 0.78 KMT2A (0.38) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL7100690 0.77 TSHR (0.43) KDM4ETDP1MEN1KMT2ASMN1; SMN2
SCHEMBL29581117 0.77 TSHR (0.43) KDM4ETDP1MEN1KMT2ASMN1; SMN2
SCHEMBL21875815 0.77 KDM4E (0.44) KDM4EATMTDP1L3MBTL1MEN1
Ammonia Solution, Strong SCHEMBL27866019 0.76 ALDH1A1 (0.38) KDM4EATMTDP1L3MBTL1MEN1

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-109912657-A Fire retardant tri o cresyl thiophosphate (the thio phosphono heterocycle methylene of silicon) ester compounds and preparation method thereof 苏州科技大学 2019-06-21 CN disclosed