SCHEMBL8805617

SCHEMBL8805617

[CH2]CCc1c(C)n(-c2ccncc2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PLA2G4A P47712 1/20 0.38
▸ IL1R1 P14778 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GSR P00390 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL8804561 0.85 ALOX12 (0.46) PLA2G2APTGDR2HDAC6ALDH1A1MEN1
SCHEMBL24856039 0.74 ALDH1A1 (0.58) PLA2G2APTGDR2HDAC6ALDH1A1MEN1
SCHEMBL8804876 0.74 REN (0.39) PTGDR2ALDH1A1MEN1MAPTKMT2A
SCHEMBL8805131 0.73 KDM4E (0.40) PTGDR2ALDH1A1MEN1MAPTKMT2A
SCHEMBL5226018 0.73 IL1R1 (0.68) PLA2G2APTGDR2HDAC6ALDH1A1MEN1
SCHEMBL16484321 0.72 KDM4E (0.67) ALDH1A1MEN1MAPTKMT2AHSP90AA1
Hydrochloric Acid SCHEMBL31109106 0.72 ALDH1A1 (0.68) PLA2G2APTGDR2HDAC6ALDH1A1MEN1
SCHEMBL12352483 0.71 PLA2G2A (0.56) PLA2G2AHDAC6ALDH1A1MEN1MAPT
SCHEMBL8804502 0.69 REN (0.41) PTGDR2ALDH1A1MEN1MAPTKMT2A
SCHEMBL11126713 0.68 PLA2G4A (0.53) PLA2G2APTGDR2HDAC6ALDH1A1PLA2G4A

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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