SCHEMBL23259374

SCHEMBL23259374

CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2ccccc2S)[nH]c1=O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.67
▸ ADCY1 Q08828 16/20 0.58
▸ ADCY8 P40145 13/20 0.58
▸ HTR2B P41595 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL23249699 0.89 SLC2A1 (0.67) SLC2A1ADCY1ADCY8HTR2BKDM4E
SCHEMBL20673074 0.89 ADCY1 (0.72) SLC2A1ADCY1ADCY8HTR2BKDM4E
SCHEMBL23249671 0.88 SLC2A1 (0.64) SLC2A1ADCY1ADCY8HTR2BKDM4E
SCHEMBL20673019 0.87 SLC2A1 (0.65) SLC2A1ADCY1ADCY8HTR2BKDM4E
SCHEMBL20673021 0.87 SLC2A1 (0.81) SLC2A1ADCY1ADCY8HTR2BKDM4E
SCHEMBL23249727 0.86 SLC2A1 (0.64) SLC2A1ADCY1ADCY8HTR2BKDM4E
SCHEMBL23249753 0.85 SLC2A1 (0.63) SLC2A1ADCY1ADCY8HTR2BKDM4E
SCHEMBL23249648 0.85 ADCY1 (0.73) SLC2A1ADCY1ADCY8HTR2B
SCHEMBL23249629 0.82 SLC2A1 (0.66) SLC2A1ADCY1ADCY8HTR2BKDM4E
SCHEMBL23249634 0.82 SLC2A1 (0.68) SLC2A1ADCY1ADCY8HTR2B

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-2021077102-A1 NOVEL ANTIPARASITIC COMPOUNDS AND METHODS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-22 — — WO disclosed
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