SCHEMBL9164091

SCHEMBL9164091

c1nnc(C2CCCCCC2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.51
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 5/20 0.39
ALOX15B O15296 1/20 0.39
EPHX2 P34913 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ADCY1 Q08828 4/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL9248815 1.00 NOTUM (0.51) NOTUMCYP2C19ALDH1A1ALOX15BEPHX2
SCHEMBL8062544 1.00 NOTUM (0.51) NOTUMCYP2C19ALDH1A1ALOX15BEPHX2
SCHEMBL4743084 0.98 NOTUM (0.50) NOTUMCYP2C19ALDH1A1ALOX15BEPHX2
SCHEMBL22730674 0.93
SCHEMBL12525097 0.79 NOTUM (0.37) NOTUMEPHX2KCNH2
SCHEMBL12525098 0.79 NOTUM (0.37) NOTUMEPHX2KCNH2
SCHEMBL5949426 0.79 NOTUM (0.37) NOTUMEPHX2KCNH2
SCHEMBL15024230 0.79 NOTUM (0.39) NOTUMEPHX2KCNH2
Hydrochloric Acid SCHEMBL21080304 0.78 KCNH2 (0.36) NOTUMEPHX2KCNH2
Hydrochloric Acid SCHEMBL21080307 0.78 KCNH2 (0.36) NOTUMEPHX2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434164-A Carbostyril derivatives and salts thereof and pharmaceutical compositions for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1995-07-18 US disclosed
EP-0240015-B1 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMA CO LTD (JP) 1994-12-28 EP disclosed
US-5008274-A Carbostyril derivatives and salts thereof and pharmaceutical composition for inhibiting adhesion of thrombocytes OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-04-16 US disclosed
EP-0240015-A2 Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-10-07 EP disclosed