SCHEMBL7699449

SCHEMBL7699449

CCN1C(=O)C(=CNc2ccccc2CCO)c2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.40
MAPT P10636 6/20 0.38
APP P05067 4/20 0.38
SNCA P37840 4/20 0.38
GRM5 P41594 1/20 0.36
THRB P10828 2/20 0.36
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
BRD4 O60885 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 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
SCHEMBL5873728 0.74 MAPT (0.41) RXFP1MAPTAPPSNCAGRM5
SCHEMBL5873726 0.74 MAPT (0.41) RXFP1MAPTAPPSNCAGRM5
SCHEMBL7704854 0.71 CCNT1 (0.40) MAPTAPPSNCAALDH1A1TP53
SCHEMBL5873898 0.70 MAPT (0.40) RXFP1MAPTALDH1A1NPSR1KDM4E
SCHEMBL5873903 0.70 MAPT (0.40) RXFP1MAPTALDH1A1NPSR1KDM4E
SCHEMBL7661382 0.69 TRPV1 (0.44) MAPTALDH1A1HSD17B10NPSR1KDM4E
SCHEMBL19297675 0.67 BRD4 (0.43) THRBALDH1A1NPSR1BRD4GAA
SCHEMBL6884688 0.65 NTRK1 (0.45) MAPT
SCHEMBL5873722 0.65 NTRK1 (0.45) MAPT
SCHEMBL8018899 0.65 KMT2A (0.40) MAPTTHRBALDH1A1GAAKDM4E

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
US-6350747-B1 PROTEIN SERINE/THREONINE KINASE AND PROTEIN TYROSINE KINASE ENZYME INHIBITORS; ANGIOGENESIS INHIBITORS; ANTITUMOR AND ANTIPROLIFERATIVE AGENTS GLAXO WELLCOME INC. 2002-02-26 US disclosed