SCHEMBL23845497

SCHEMBL23845497

Cc1cc(NN)ncc1SNc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ CYP1A2 P05177 3/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ NNMT P40261 1/20 0.33
▸ JAK2 O60674 2/20 0.31

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
SCHEMBL23845626 0.75 NNMT (0.39) ALDH1A1NNMTKDM4EMAPT
SCHEMBL21253047 0.70 NPC1 (0.42) CYP1A2CYP2D6CYP3A4LMNACYP2C9
SCHEMBL23833599 0.70 ALDH1A1 (0.48) CYP3A4CYP2C19LMNATDP1ALDH1A1
SCHEMBL3859718 0.69 HPGD (0.41) CYP1A2CYP2D6CYP3A4CYP2C19LMNA
SCHEMBL3620179 0.68 NOS3 (0.50) PDGFRBPDGFRALMNATDP1ALDH1A1
SCHEMBL810305 0.67 NPC1 (0.42) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL23845561 0.66 NNMT (0.33) ALDH1A1NNMTNPC1RAB9A
SCHEMBL23832253 0.66 GABRP (0.61) ALDH1A1KMT2ANNMTGAAKDM4E
SCHEMBL20772266 0.64 NNMT (0.37) LMNATDP1ALDH1A1MEN1KMT2A
SCHEMBL20772252 0.64 NNMT (0.37) ALDH1A1CLK4NNMTJAK2JAK1

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-2021188938-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
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