SCHEMBL5221006

SCHEMBL5221006

Nc1ncc(Br)nc1OC(=O)NCc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 4/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL5217075 0.90 NPC1 (0.48) POLBALDH1A1HPGDLMNANPC1
SCHEMBL3274531 0.80 ATR (0.52) POLBALDH1A1HPGDHTTLMNA
SCHEMBL23093425 0.76 CCR4 (0.39) ALDH1A1HPGDHTTUSP2HDAC3
Hydrochloric Acid SCHEMBL5221890 0.73 GSK3B (0.55) POLBALDH1A1HTTSMN1; SMN2GAA
SCHEMBL3280676 0.73 NPC1 (0.53) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL23093156 0.72 EGFR (0.49) ALDH1A1LMNASMN1; SMN2USP2HDAC3
SCHEMBL23499144 0.71 ALDH1A1 (0.41) POLBALDH1A1HPGDHTTLMNA
SCHEMBL15890234 0.70 HPGD (0.60) POLBALDH1A1HPGDHTTLMNA
SCHEMBL5217722 0.70 ALDH1A1 (0.41) POLBALDH1A1HPGDHTTLMNA
SCHEMBL33527951 0.69 POLB (0.64) POLBALDH1A1HPGDHTTLMNA

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
EP-1575942-B1 COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3 ASTRAZENECA AB (SE) 2007-05-02 — — EP claimed
Send feedback