SCHEMBL8213866

SCHEMBL8213866

O=C1NCc2ccccc21.[AlH3]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.95
CA9 Q16790 1/20 0.95
PARP1 P09874 3/20 0.61
PDPK1 O15530 1/20 0.61
PARP10 Q53GL7 1/20 0.61
PARP11 Q9NR21 1/20 0.61
CLK4 Q9HAZ1 3/20 0.56
DYRK1B Q9Y463 3/20 0.56
NTRK2 Q16620 2/20 0.56
TYRO3 Q06418 1/20 0.56
GRM5 P41594 3/20 0.51
TDP2 O95551 1/20 0.50
CASP3 P42574 1/20 0.50
CASP7 P55210 1/20 0.50
CASP9 P55211 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50
MAP3K14 Q99558 1/20 0.50
KDR P35968 3/20 0.49
AURKA O14965 2/20 0.49

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
SCHEMBL8213864 1.00 CA12 (0.95) CA12CA9PARP1PDPK1PARP10
SCHEMBL4818277 0.98 CA12 (1.00) CA12CA9PARP1PDPK1PARP10
SCHEMBL29355184 0.98 CA12 (1.00) CA12CA9PARP1PDPK1PARP10
SCHEMBL14896 0.98 CA12 (1.00) CA12CA9PARP1PDPK1PARP10
SCHEMBL11354047 0.95 CA12 (0.95) CA12CA9PARP1PDPK1PARP10
Hydrochloric Acid SCHEMBL5046932 0.95 CA12 (0.95) CA12CA9PARP1PDPK1PARP10
Water SCHEMBL19462706 0.95 CA12 (0.95) CA12CA9PARP1PDPK1PARP10
Water SCHEMBL19462703 0.95 CA12 (0.95) CA12CA9PARP1PDPK1PARP10
Water SCHEMBL19462837 0.95 CA12 (0.95) CA12CA9PARP1PDPK1PARP10
SCHEMBL1821811 0.95 CA12 (0.95) CA12CA9PARP1PDPK1PARP10

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-6022911-A COATED WITH A POLYMER POLYMERIZED BY IN SITU POLYMERIZATION, THEREBY THE ADHESION OF THE COLOR PIGMENT TO THE SUBSTRATE TOYO ALUMINIUM KABUSHIKI KAISHA (JP) 2000-02-08 US disclosed
US-5912283-A NONMETALLIC COLOR PIGMENT SURFACE TREATED WITH AGENT SELECTEDFROM MONNOBASIC AROMATIC CARBOXYLIC ACID OR AMINO COMPOUND;AUTOMOBILE NETALLIC FINISHES, ELECTRICAL ARTICLES, TOOLS,DECORATIVE PLASTICS FINISHES, PRINTING INK TOYO ALUMINIUM KABUSHIKI KAISHA (JP) 1999-06-15 US disclosed