SCHEMBL5650853

SCHEMBL5650853

Cc1cc(N)cnc1OCc1ccc(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR2C P28335 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR2A P28223 1/20 0.40
P2RX7 Q99572 3/20 0.39
INPPL1 O15357 2/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
POLB P06746 3/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37

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
SCHEMBL5651640 0.79 MAOB (0.49) SMN1; SMN2POLBHTTMEN1KMT2A
SCHEMBL5652410 0.77 KDM4E (0.48) RAB9AL3MBTL1ALOX15HSD17B10ALDH1A1
SCHEMBL5653373 0.75 ALOX5AP (0.39) L3MBTL1ALDH1A1PTGER1LMNA
SCHEMBL5649684 0.73 CYP17A1 (0.43) L3MBTL1SMN1; SMN2POLBHTTLMNA
SCHEMBL5921916 0.73 RAB9A (0.56) RAB9AL3MBTL1ALOX15HSD17B10ALDH1A1
SCHEMBL18449670 0.72 RAB9A (0.45) RAB9AL3MBTL1ALOX15HSD17B10ALDH1A1
SCHEMBL6643037 0.71 HSD11B1 (0.41) RAB9ACYP1A2NPC1POLB
SCHEMBL20160314 0.71 TRPA1 (0.51) L3MBTL1MEN1KMT2A
SCHEMBL5655538 0.70 KDM4E (0.54) CYP3A4
SCHEMBL5648620 0.70 L3MBTL1 (0.47) RAB9AL3MBTL1ALDH1A1CYP1A2CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866311-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-19 EP claimed
WO-2006104889-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-10-05 WO claimed
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed