SCHEMBL8890720

SCHEMBL8890720

CCOC(=O)c1ccccc1F.COC(=O)c1ccccc1F.O=S(=O)(O)Cl.O=S(=O)(O)Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 4/20 0.47
TP53 P04637 3/20 0.47
HTT P42858 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
ADRB2 P07550 3/20 0.46
ADRB1 P08588 3/20 0.46
ADRB3 P13945 3/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL18867935 0.85 TSHR (0.74) TSHRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL29604433 0.85 TSHR (0.74) TSHRKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL2325118 0.85 TSHR (0.74) TSHRKDM4ESMN1; SMN2NPC1RAB9A
Bromide SCHEMBL38660840 0.83 TSHR (0.71) TSHRKDM4ESMN1; SMN2NPC1RAB9A
Diethyl Phthalate SCHEMBL2173730 0.80 TSHR (0.84) TSHRKDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL495814 0.80 TSHR (0.84) TSHRKDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL29930913 0.80 KMT2A (0.67) TSHRKDM4EKMT2ASMN1; SMN2NPC1
SCHEMBL513707 0.80 KMT2A (0.67) TSHRKDM4EKMT2ASMN1; SMN2NPC1
SCHEMBL29632661 0.78 KMT2A (0.65) TSHRKDM4EKMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL30779105 0.78 KMT2A (0.65) TSHRKDM4EKMT2ASMN1; SMN2NPC1

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-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed