SCHEMBL8516951

SCHEMBL8516951

C=CCOc1cc(C#N)ccc1N=C=Nc1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6818541 0.82 HPGD (0.33) KDM4EMEN1KMT2AMAPK1HSD17B10
SCHEMBL21728097 0.68 AR (0.44) KDM4EMAPTMEN1GAAKMT2A
SCHEMBL6550839 0.67 TRPV4 (0.38) KDM4EMAPTMEN1GAAKMT2A
SCHEMBL3275986 0.67 ADRA2A (0.50) KDM4EMAPTSMN1; SMN2MEN1NPC1
SCHEMBL506595 0.64 ALDH1A1 (0.42) KDM4EMEN1GAAKMT2AMAPK1
SCHEMBL22140450 0.64 TRPV4 (0.43) KDM4EMEN1GAAKMT2AHPGD
SCHEMBL28410677 0.63 MAOA (0.57) KDM4EMAPTSMN1; SMN2NPC1KMT2A
SCHEMBL18992094 0.63 SQOR (0.41) SQORKDM4EMAPTSMN1; SMN2MEN1
SCHEMBL9469860 0.62 SQOR (0.44) SQORGAARAB9AKMT2ACYP19A1
SCHEMBL28857557 0.62 HPGD (0.40) KDM4ESMN1; SMN2GAAMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948330-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-12-01 EP disclosed
EP-0948330-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-10-13 EP disclosed
WO-1998005328-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO disclosed