SCHEMBL8804561

SCHEMBL8804561

[CH2]CCc1c(C)n(-c2cccnc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 1/20 0.46
▸ MDM2 Q00987 1/20 0.42
▸ PLA2G2A P14555 1/20 0.41
▸ GSR P00390 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ RAB9A P51151 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ GFER P55789 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2E1 P05181 2/20 0.36
▸ CYP2A6 P11509 2/20 0.36
▸ PLA2G4A P47712 1/20 0.36
▸ IL1R1 P14778 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35

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
SCHEMBL8805617 0.85 PLA2G2A (0.44) PLA2G2AGSRPTGDR2MAPK1HDAC6
SCHEMBL11126713 0.83 PLA2G4A (0.53) ALOX12MDM2PLA2G2APTGDR2RAB9A
SCHEMBL11098148 0.82 PLA2G2A (0.46) ALOX12MDM2PLA2G2AGSRPTGDR2
SCHEMBL11035273 0.81 TBXAS1 (0.51) ALOX12PLA2G2APTGDR2PLA2G4A
SCHEMBL8805724 0.80 REN (0.40) ALOX12MDM2RAB9AGAAMAPK1
SCHEMBL16484319 0.75 KDM4E (0.59) ALOX12MDM2GSRRAB9ACYP11B2
SCHEMBL8805650 0.72 REN (0.41) ALOX12MDM2GSRRAB9ACYP1A2
SCHEMBL24856039 0.71 ALDH1A1 (0.58) PLA2G2APTGDR2GAAHDAC6GFER
SCHEMBL20135887 0.70 ALOX12 (0.57) ALOX12MDM2GSRRAB9AGAA
SCHEMBL5226018 0.70 IL1R1 (0.68) PLA2G2APTGDR2GAAHDAC6GFER

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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