SCHEMBL8805131

SCHEMBL8805131

[CH2]Cc1c(CCCC)n(-c2ccncc2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ AGTR1 P30556 2/20 0.38
▸ SLC6A2 P23975 7/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ IL1R1 P14778 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 1/20 0.34

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 0.79 REN (0.41) KDM4EHTTAGTR1ALDH1A1PTGDR2
SCHEMBL8805617 0.73 PLA2G2A (0.44) KDM4ECYP1A2HTTSMN1; SMN2SLC6A2
SCHEMBL8804876 0.72 REN (0.39) KDM4EHTTSMN1; SMN2ALDH1A1PTGDR2
SCHEMBL13142704 0.69 TLR7 (0.49) KDM4ECYP1A2HTTCYP2D6SLC2A1
SCHEMBL16484321 0.68 KDM4E (0.67) KDM4ECYP1A2SLC6A2ALDH1A1CYP2C19
SCHEMBL9284669 0.65 KHK (0.48) KDM4EHTTSMN1; SMN2SLC6A2ALDH1A1
SCHEMBL4957083 0.64 LMNA (0.77) CYP1A2CYP2D6SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9283417 0.64 OXER1 (0.45) SLC6A2
SCHEMBL14013710 0.63 KDM4E (0.47) KDM4ESLC6A2ALDH1A1MAPK1L3MBTL1
SCHEMBL6374513 0.63 KDM4E (0.57) KDM4ESLC6A2ALDH1A1MAPK1L3MBTL1

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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