SCHEMBL25339003

SCHEMBL25339003

Cn1nc2cc(-c3ccccc3Sc3ccc(C(F)(F)F)cc3)ccn2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ GPR139 Q6DWJ6 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL30544058 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL25339701 0.80 TEAD1 (0.40) MAPTMAT2A
SCHEMBL30544052 0.80 TEAD1 (0.40) MAPTMAT2A
SCHEMBL25952101 0.79 BRD4 (0.39) GPR139
SCHEMBL25429043 0.72 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL25377567 0.69 DYRK1A (0.50) SLC6A2SLC6A4SLC6A3ALDH1A1HTR1A
SCHEMBL25978187 0.69 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL25973620 0.68 KCNQ3 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL25973625 0.67 DHODH (0.46) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL25973835 0.67 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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