SCHEMBL8804876

SCHEMBL8804876

[CH2]CCCc1c(Cc2ccccc2)n(-c2ccncc2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.39
▸ IL1R1 P14778 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ HRH1 P35367 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ FOLH1 Q04609 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL8804502 0.87 REN (0.41) RENIL1R1ALDH1A1L3MBTL1MEN1
SCHEMBL8805724 0.80 REN (0.40) RENIL1R1ALDH1A1L3MBTL1MEN1
SCHEMBL8805650 0.74 REN (0.41) RENALDH1A1L3MBTL1KDM4EATM
SCHEMBL8805617 0.74 PLA2G2A (0.44) IL1R1ALDH1A1L3MBTL1MEN1MAPT
SCHEMBL8805131 0.72 KDM4E (0.40) IL1R1ALDH1A1L3MBTL1MEN1MAPT
SCHEMBL3161134 0.68 REN (0.42) RENALDH1A1MEN1MAPTKMT2A
SCHEMBL16484321 0.67 KDM4E (0.67) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL17228253 0.65 KDM4E (0.59) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL17228252 0.64 KDM4E (0.52) ALDH1A1L3MBTL1MEN1MAPTKMT2A
SCHEMBL1922920 0.62 MPO (0.42) ALDH1A1MEN1MAPTKMT2AHTT

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-0775131-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA Medica Aktiengesellschaft (DE) 1997-05-28 — — EP disclosed
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