SCHEMBL11239828

SCHEMBL11239828

O=C(F)c1cccc2c(C(F)(F)F)cccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CNR2 P34972 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CTNNB1 P35222 3/20 0.41
▸ WNT3A P56704 3/20 0.41
▸ TAS2R14 Q9NYV8 2/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ FABP4 P15090 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SLC9A1 P19634 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ F2R P25116 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
SCHEMBL29600565 0.83 NR4A1 (0.44) KDM4EMEN1KMT2AHSD17B10
SCHEMBL22832300 0.83 NR4A1 (0.44) KDM4EMEN1KMT2AHSD17B10
Fluoride SCHEMBL11239855 0.83 NR4A1 (0.50) LMNAGAACNR2KDM4EMEN1
SCHEMBL5794560 0.79 LMNA (0.62) LMNAGAACNR2CTNNB1WNT3A
SCHEMBL4104026 0.79 CTNNB1 (0.43) LMNAGAACNR2KDM4EMEN1
SCHEMBL10391427 0.79 LMNA (0.45) LMNAGAAKDM4ETAS2R14HSD17B10
SCHEMBL9560994 0.78 KAT6A (0.50) LMNAGAACNR2TAS2R14
SCHEMBL4097567 0.78 CTSS (0.42) LMNAGAACNR2KDM4EMEN1
Fluoride SCHEMBL11157329 0.76 LMNA (0.58) LMNAGAACNR2CTNNB1WNT3A
Fluoride Ion SCHEMBL11157327 0.76 LMNA (0.58) LMNAGAACNR2CTNNB1WNT3A

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-4331613-A Process for the preparation of trifluoromethylnaphthalenes BAYER AKTIENGESELLSCHAFT (DE) 1982-05-25 — — US disclosed
Send feedback