SCHEMBL18689871

SCHEMBL18689871

Cc1ccc(Sc2cccc(Cl)c2)c2c1[C@H](O)C(F)(F)[C@@H]2F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ RHEB Q15382 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC6A9 P48067 3/20 0.32
▸ IDO1 P14902 2/20 0.32
▸ DHFR P00374 1/20 0.32
▸ POLB P06746 2/20 0.32

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
SCHEMBL21432437 0.74 EPAS1 (0.33) EPAS1
SCHEMBL18048416 0.69 EPAS1 (0.49) EPAS1
SCHEMBL21362881 0.66 EPAS1 (0.40) EPAS1
SCHEMBL25704500 0.65 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3RHEBLMNA
SCHEMBL21362932 0.64 EPAS1 (0.41) EPAS1
SCHEMBL27777645 0.63 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3RHEBCYP3A4
SCHEMBL29543630 0.62 POLB (0.56) SLC6A2SLC6A4SLC6A3RHEBLMNA
SCHEMBL2282611 0.62 POLB (0.56) SLC6A2SLC6A4SLC6A3RHEBLMNA
SCHEMBL30688805 0.62 POLB (0.56) SLC6A2SLC6A4SLC6A3RHEBLMNA
SCHEMBL10596007 0.60 POLB (0.55) SLC6A2SLC6A4SLC6A3RHEBLMNA

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
WO-2017053192-A1 BIOMARKERS OF RESPONSE TO HIF-2-ALPHA INHIBITION IN CANCER AND METHODS FOR THE USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-30 — — WO disclosed
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