SCHEMBL7990375

SCHEMBL7990375

O=C(Nc1cccc(NC(=O)c2ccccn2)c1)c1ccccn1

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.84
KCNK3 O14649 1/20 0.84
KCNK9 Q9NPC2 1/20 0.84
GRM4 Q14833 7/20 0.81
HDAC6 Q9UBN7 1/20 0.81
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
EGFR P00533 1/20 0.66
ERBB2 P04626 1/20 0.66
MET P08581 1/20 0.66
MERTK Q12866 1/20 0.66
KDM4E B2RXH2 1/20 0.63

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
SCHEMBL29496401 0.90 GRM4 (1.00) KDRKCNK3KCNK9GRM4HDAC6
SCHEMBL2530324 0.90 GRM4 (1.00) KDRKCNK3KCNK9GRM4HDAC6
SCHEMBL2528081 0.90 GRM4 (0.72) KDRKCNK3KCNK9GRM4HDAC6
SCHEMBL231897 0.89 KDR (0.78) KDRKCNK3KCNK9GRM4HDAC6
SCHEMBL29723905 0.89 KDR (0.72) KDRKCNK3KCNK9GRM4HDAC6
SCHEMBL30643211 0.89 GRM4 (0.70) KDRKCNK3KCNK9GRM4HDAC6
SCHEMBL3087891 0.89 GRM4 (0.70) KDRKCNK3KCNK9GRM4HDAC6
SCHEMBL30643208 0.89 KDR (0.72) KDRKCNK3KCNK9GRM4HDAC6
SCHEMBL2527967 0.89 GRM4 (0.70) KDRKCNK3KCNK9GRM4HDAC6
SCHEMBL28904211 0.89 GRM4 (0.70) KDRKCNK3KCNK9GRM4HDAC6

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-6191146-B1 BACTERICIDES, FUNGICIDES, VIRICIDES SMITHKLINE BEECHAM CORPORATION 2001-02-20 US claimed
US-6191146-B1 BACTERICIDES, FUNGICIDES, VIRICIDES SMITHKLINE BEECHAM CORPORATION 2001-02-20 US disclosed