SCHEMBL7032865

SCHEMBL7032865

CC(C)n1nc(C#CC2(O)CCC2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 2/20 0.41
PAX8 Q06710 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
NR2F2 P24468 1/20 0.33
MAP3K14 Q99558 4/20 0.33
CDK1 P06493 3/20 0.32
CCNB1 P14635 2/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TNIK Q9UKE5 1/20 0.31
TTK P33981 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
CHUK O15111 1/20 0.30

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
SCHEMBL7039195 0.96 FLT4 (0.40) FLT4PAX8NPC1RAB9APOLB
SCHEMBL7035563 0.88 FLT4 (0.33) FLT4
SCHEMBL7038833 0.88 HPGD (0.34) FLT4HPGDSMN1; SMN2
SCHEMBL7042064 0.87 FLT4 (0.32) FLT4HRH3
SCHEMBL7036150 0.79 HRH3 (0.32) HRH3
SCHEMBL7038464 0.74 BMPR1B (0.30) POLB
SCHEMBL6134347 0.72 BMPR1B (0.30)
SCHEMBL5147966 0.69 ADORA2B (0.36) FLT4CDK1CCNB1TNIK
SCHEMBL6133575 0.68 RET (0.44)
SCHEMBL7037693 0.68 CCNB2 (0.35) FLT4MAP3K14CDK1CCNB1

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
WO-2003004494-A1 PYRIDAZINONE COMPOUND AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-16 WO disclosed