SCHEMBL13769482

SCHEMBL13769482

COc1cccc(Cl)c1-c1nc2ccccc2c(=O)n1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52
IDO2 Q6ZQW0 1/20 0.52
CRHR1 P34998 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
WEE1 P30291 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BACE1 P56817 1/20 0.44
PDE10A Q9Y233 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL31276986 0.74 SMN1; SMN2 (0.57) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL1623659 0.73 GUSB (0.75)
SCHEMBL23743247 0.72 POLB (0.57) CRHR1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL2734535 0.72 PDE10A (0.46) CRHR1L3MBTL1KMT2AMEN1LMNA
SCHEMBL31276974 0.72 CYP1A2 (0.73) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL1621708 0.72 METAP1 (0.46) L3MBTL1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL1463333 0.72 KMT2A (0.65) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL29764078 0.72 KMT2A (0.65) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL27926165 0.72 ALDH1A1 (0.60) L3MBTL1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL22720142 0.70 KDM4E (0.57) IDO1TDO2IDO2KMT2AMEN1

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
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP disclosed