SCHEMBL11403155

SCHEMBL11403155

CC(C)n1nc(-c2ccc(-c3ccc(F)cc3)cc2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HRH3 Q9Y5N1 4/20 0.45
HDAC6 Q9UBN7 1/20 0.44
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SCN4A P35499 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL25408858 0.82 KEAP1 (0.47) HRH3BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL11246577 0.80 BMPR1B (0.46) CA1CA2HRH3BMPR1BBMPR1A
SCHEMBL6538527 0.79 PDE10A (0.40) HRH3HDAC6BMPR1BBMPR1ATGFBR1
SCHEMBL11391433 0.78 HRH3 (0.52) CA1CA2HRH3KDM4EALDH1A1
SCHEMBL5147968 0.78 ADORA2A (0.65) HRH3HDAC6BMPR1BBMPR1ATGFBR1
SCHEMBL6538398 0.78 ADORA2A (0.50) CA1CA2HRH3HDAC6BMPR1B
SCHEMBL6539242 0.78 HTR2A (0.39) CA1CA2HRH3HDAC6BMPR1B
SCHEMBL6134033 0.77 TGFBR1 (0.48) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL5148995 0.77 ADORA2A (0.49) HRH3HDAC6BMPR1BBMPR1ATGFBR1
SCHEMBL5148931 0.76 ADORA2A (0.46) HDAC6ADORA2AADORA1HDAC1HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4289774-A Lipid lowering and anti-thrombotic 6-arylpyridazin-3-ones and a process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-09-15 US disclosed
EP-0010156-A1 6-Arylpyridazine-3-ones, pharmaceutical compositions containing them and process for their preparation MERCK PATENT GmbH (DE) 1980-04-30 EP disclosed