SCHEMBL6289739

SCHEMBL6289739

[N]=Nc1ccccc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.55
▸ HPGD P15428 10/20 0.55
▸ KDM4E B2RXH2 9/20 0.55
▸ LMNA P02545 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ METAP2 P50579 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ AKR1C3 P42330 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ AKR1C2 P52895 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL28619469 0.82 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL15131272 0.82 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL6888642 0.80 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL840117 0.80 ALDH1A1 (0.61) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL23722477 0.78 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL840296 0.78 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL6753961 0.78 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL11710107 0.78 PDK2 (0.40) ALDH1A1KDM4ELMNAMAPTHSD17B10
SCHEMBL2455021 0.77 ALDH1A1 (0.53) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4967588 0.75 ALDH1A1 (0.70) ALDH1A1HPGDKDM4ELMNAMAPT

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
EP-1432938-B1 RADIAL SHAFT SEAL AND METHOD FOR MAKING SAME FREUDENBERG CARL KG (DE) 2005-06-08 — — EP claimed
EP-0266897-A1 Synthesis of alkylsulfinyl substituted 2-phenylimidazo [4,5-c] pyridines ELI LILLY AND COMPANY (US) 1988-05-11 — — EP disclosed
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