SCHEMBL11244489

SCHEMBL11244489

CCSCCOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 1/20 0.49
TTR P02766 1/20 0.49
PPOX P50336 1/20 0.49
KMT2A Q03164 1/20 0.49
FFAR1 O14842 5/20 0.47
MRGPRX4 Q96LA9 6/20 0.44
PPARD Q03181 2/20 0.43
PPARA Q07869 1/20 0.43
HTR2A P28223 4/20 0.41
SLC6A4 P31645 4/20 0.41
KCNH2 Q12809 4/20 0.41

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
SCHEMBL11241728 0.86 FFAR1 (0.52) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11246273 0.85 FFAR1 (0.54) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10500277 0.82 MEN1 (0.70) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11245505 0.81 MEN1 (0.54) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11246118 0.81 MEN1 (0.50) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11242846 0.81 FFAR1 (0.51) TDP1MEN1TTRPPOXKMT2A
SCHEMBL29448825 0.81 TDP1 (0.58) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11854430 0.81 TDP1 (0.58) TDP1MEN1TTRPPOXKMT2A
Ammonia Solution, Strong SCHEMBL11124799 0.79 MEN1 (0.56) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10671734 0.78 MRGPRX4 (0.58) TDP1MEN1TTRPPOXKMT2A

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
US-4334914-A PRE-AND POSTEMERGENT APPLICATION NIHON NOHYAKU CO., LTD. (JP) 1982-06-15 US disclosed
EP-0034457-A1 Benzoate derivative, method of preparing the same and use thereof NIHON NOHYAKU CO., LTD. (JP) 1981-08-26 EP disclosed