SCHEMBL9369451

SCHEMBL9369451

CC(=O)c1c(F)cccc1Oc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ HSPB1 P04792 3/20 0.46
▸ TRPA1 O75762 2/20 0.46
▸ MAPT P10636 1/20 0.44
▸ CARM1 Q86X55 4/20 0.40
▸ PRMT6 Q96LA8 3/20 0.40
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ CXCL8 P10145 1/20 0.39

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
SCHEMBL9367408 0.87 SLC6A2 (0.47) KMT2ALMNAGAAPKM
SCHEMBL1957640 0.76 CA9 (0.57) KMT2ACES2CES1LMNA
SCHEMBL30313283 0.76 CA9 (0.57) KMT2ACES2CES1LMNA
SCHEMBL10456772 0.75 TRPA1 (0.56) HSPB1TRPA1EPAS1
SCHEMBL13717859 0.75 KMT2A (0.57) KMT2AMAPTCES2CES1LMNA
SCHEMBL22859971 0.74 MAOB (0.46) HSPB1MAPTLMNAGAA
SCHEMBL30356696 0.73 MAOB (0.58) KMT2AHSPB1MAPTLMNAGAA
SCHEMBL11548018 0.73 MAOB (0.58) KMT2AHSPB1MAPTLMNAGAA
SCHEMBL167447 0.73 CES2 (0.64) KMT2ACES2CES1LMNAGAA
SCHEMBL22826881 0.73 EPAS1 (0.52) HSPB1MAPTLMNAGAAPKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365915-B1 Substituted 2-aminothiazoles BAYER AG (DE) 1994-04-20 — — EP disclosed
US-4956370-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-09-11 — — US disclosed
EP-0365915-A2 Substituted 2-aminothiazoles BAYER AG (DE) 1990-05-02 — — EP disclosed
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