SCHEMBL11241860

SCHEMBL11241860

CC(Sc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 3/20 0.46
▸ IL2 P60568 2/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ CBLB Q13191 2/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL11248363 0.87 ATM (0.51) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL11254390 0.83 TDP1 (0.51) RAB9ANPC1PKMCBLBSMN1; SMN2
SCHEMBL11246141 0.82 ATM (0.46) RAB9ANPC1PKMSMN1; SMN2MEN1
SCHEMBL11243521 0.82 MEN1 (0.54) TRPA1IL2NPC1SMN1; SMN2MEN1
SCHEMBL11229846 0.80 IL2 (0.46) TRPA1IL2RAB9ANPC1PKM
SCHEMBL30499684 0.78 MAPT (0.62) TRPA1RAB9ASMN1; SMN2MEN1HTT
SCHEMBL7607258 0.78 MAPT (0.62) TRPA1RAB9ASMN1; SMN2MEN1HTT
Penfluron SCHEMBL117735 0.78 EPHX2 (0.60) TRPA1IL2RAB9ANPC1MEN1
SCHEMBL9326300 0.75 EPHX2 (0.57) TRPA1IL2RAB9ANPC1MEN1
SCHEMBL11250909 0.75 TP53 (0.49) RAB9ANPC1SMN1; SMN2MEN1HTT

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
US-4350706-A MITICIDES, LARVICIDES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1982-09-21 — — US disclosed
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