SCHEMBL7665668

SCHEMBL7665668

Cc1cc(OC(F)(F)F)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
DHODH Q02127 1/20 0.44
KDR P35968 4/20 0.43
BRAF P15056 2/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CISD2 Q8N5K1 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL7794191 0.86 CYP17A1 (0.49) KCNQ3KCNQ2DHODHKDRBRAF
SCHEMBL6754908 0.86 KCNQ3 (0.46) KCNQ3KCNQ2ALDH1A1POLBGAA
SCHEMBL5151209 0.85 TRPV1 (0.42) KCNQ3KCNQ2DHODHSMN1; SMN2CISD2
SCHEMBL5563026 0.85 KCNQ3 (0.45) KCNQ3KCNQ2ALDH1A1POLBGAA
SCHEMBL2157110 0.84 RAB9A (0.53) GAATHRBSMN1; SMN2CISD2RAB9A
SCHEMBL7383350 0.84 DHODH (0.51) DHODHKDRBRAFALDH1A1POLB
SCHEMBL17295021 0.84 IGF2BP2 (0.46) KCNQ3KCNQ2ALDH1A1POLBGAA
SCHEMBL687475 0.84 IGF2BP2 (0.58) KCNQ3KCNQ2DHODHALDH1A1POLB
SCHEMBL31135377 0.83 BRAF (0.47) KCNQ3KCNQ2KDRBRAFALDH1A1
SCHEMBL3427482 0.83 KCNQ3 (0.43) KCNQ3KCNQ2ALDH1A1POLBGAA

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-6369221-B1 Thiazolobenzoheterocycles, preparation and medicines containing same AVENTIS PHARMA S.A. (FR) 2002-04-09 US disclosed