SCHEMBL8804502

SCHEMBL8804502

[CH2]Cc1c(Cc2ccccc2)n(-c2ccncc2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ IL1R1 P14778 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HRH1 P35367 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ FOLH1 Q04609 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
SCHEMBL8804876 0.87 REN (0.39) RENL3MBTL1KDM4EATMPTGDR2
SCHEMBL8805650 0.86 REN (0.41) RENL3MBTL1KDM4EATMALDH1A1
SCHEMBL8805131 0.79 KDM4E (0.40) L3MBTL1KDM4EATMPTGDR2IL1R1
SCHEMBL8805724 0.76 REN (0.40) RENL3MBTL1KDM4EIL1R1MEN1
SCHEMBL3161134 0.71 REN (0.42) RENKDM4EMEN1MAPTKMT2A
SCHEMBL16484321 0.70 KDM4E (0.67) L3MBTL1KDM4EATMMEN1MAPT
SCHEMBL8805617 0.69 PLA2G2A (0.44) L3MBTL1KDM4EATMPTGDR2IL1R1
SCHEMBL17228253 0.68 KDM4E (0.59) L3MBTL1KDM4EATMMEN1MAPT
SCHEMBL17228252 0.68 KDM4E (0.52) L3MBTL1KDM4EATMMEN1MAPT
SCHEMBL1922920 0.66 MPO (0.42) KDM4EMEN1MAPTKMT2AALDH1A1

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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