SCHEMBL11491773

SCHEMBL11491773

c1ccc2c(-c3nc4ccccc4n4ccnc34)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 7/20 0.46
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ HTR3D Q70Z44 1/20 0.46
▸ HTR3C Q8WXA8 1/20 0.46
▸ RAD51 Q06609 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ BCHE P06276 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ HTR2A P28223 1/20 0.36

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
SCHEMBL9261741 0.82 ADORA2A (0.49) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11493551 0.82 MAPK8 (0.50) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11417540 0.81 MAPK8 (0.55) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL20816334 0.80 RAD51 (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11493554 0.78 MAPK8 (0.52) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11485503 0.78 ABL1 (0.48) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11491311 0.77 RECQL (0.49) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11492050 0.76 ADORA2A (0.48) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11495421 0.76 RAD51 (0.65) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL11487184 0.76 HPGD (0.57) MAPK8HTR3EHTR3BHTR3AHTR3D

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
US-4200750-A ANTIINFLAMMATORY AGENTS, FUNGICIDES, ANTIBODY INHIBITORS WESTWOOD PHARMACEUTICALS INC. (US) 1980-04-29 — — US claimed
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