SCHEMBL17888985

SCHEMBL17888985

COc1ccccc1Cc1nc2cc(OC(=O)O)ccc2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MAPK1 P28482 3/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 2/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 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
SCHEMBL405782 0.85 POLB (0.59) POLBMAPK1ALOX15HSD17B10ALDH1A1
SCHEMBL17888980 0.83 POLB (0.50) POLBMAPK1ALOX15ALDH1A1LMNA
SCHEMBL403762 0.82 ALDH1A1 (0.55) POLBMAPK1ALOX15HSD17B10ALDH1A1
SCHEMBL17888978 0.81 MMP13 (0.58) USP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10054290 0.80 MAPK1 (0.48) POLBMAPK1ALOX15HSD17B10ALDH1A1
SCHEMBL398946 0.80 POLB (0.52) POLBMAPK1ALOX15HSD17B10ALDH1A1
SCHEMBL17888982 0.79 MAPT (0.49) POLBLMNASMN1; SMN2TDP1KDM4E
SCHEMBL17888981 0.77 KDM4E (0.65) POLBMAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL404827 0.76 PDE5A (0.58) POLBMAPK1ALOX15HSD17B10ALDH1A1
SCHEMBL17888979 0.76 ALDH1A1 (0.50) POLBALDH1A1KDM4EMMP13

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-2050739-B1 QUINAZOLINE DERIVATIVE ASKA PHARM CO LTD (JP) 2016-07-06 EP claimed