Sugi Predict

Sugi Predict / Compounds / SCHEMBL16004745

SCHEMBL16004745

SCHEMBL16004745

Cc1ccc(Oc2ccc(F)cc2CN)cc1/C=N\N=C/CO

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 20/20 0.45
▸ HTR2A P28223 8/20 0.45
▸ KCNH2 Q12809 6/20 0.45
▸ SLC6A2 P23975 10/20 0.37
▸ SLC6A3 Q01959 10/20 0.37

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
SCHEMBL14436458 0.67 SLC6A4 (0.38) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5836497 0.67 HTR2A (0.68) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL19057963 0.65 SLC6A4 (0.41) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL27496884 0.65 SLC6A4 (0.44) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL2445836 0.64 SLC6A4 (0.43) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL31119318 0.63 SLC6A2 (0.54) SLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL2447300 0.63 SLC6A2 (0.54) SLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL16004752 0.63 ROCK1 (0.43) SLC6A4HTR2AKCNH2
SCHEMBL1825491 0.63 MPO (0.44) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL5597852 0.62 SLC6A2 (0.53) SLC6A4HTR2ASLC6A2SLC6A3

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-2014134313-A1 INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF ARRAY BIOPHARMA INC. (US) 2014-09-04 — — WO disclosed
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