SCHEMBL6846586

SCHEMBL6846586

C1CN2CC12.CCOc1ccc(NC=C2C(=O)Nc3cccc(C)c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.38
PDGFRB P09619 2/20 0.38
ERBB2 P04626 2/20 0.38
IGF1R P08069 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
AGTR1 P30556 1/20 0.37
PDPK1 O15530 1/20 0.36
KDR P35968 1/20 0.36
MAPT P10636 6/20 0.36
ALDH1A1 P00352 3/20 0.35
THRB P10828 1/20 0.35
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6839009 0.96 RET (0.39) RETPDGFRBERBB2IGF1RMEN1
SCHEMBL4992299 0.88 KDR (0.44) RETPDGFRBERBB2IGF1RMEN1
SCHEMBL4992291 0.88 KDR (0.44) RETPDGFRBERBB2IGF1RMEN1
SCHEMBL4996688 0.81 DRD2 (0.38) RETPDGFRBERBB2IGF1RKDR
SCHEMBL4996685 0.81 DRD2 (0.38) RETPDGFRBERBB2IGF1RKDR
SCHEMBL4991145 0.81 HTR2A (0.43)
SCHEMBL4991138 0.81 HTR2A (0.43)
SCHEMBL4987664 0.80 MAOA (0.42) RETPDGFRBERBB2IGF1RMEN1
SCHEMBL4987670 0.80 MAOA (0.42) RETPDGFRBERBB2IGF1RMEN1
SCHEMBL6846639 0.79 TGM2 (0.41) PDGFRBMEN1KMT2AALDH1A1POLB

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-6765012-B2 FOR MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION ALLERGAN, INC. 2004-07-20 US claimed