SCHEMBL6589199

SCHEMBL6589199

COc1cccc(N(C(N)=O)c2cc(C)nc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
TSHR P16473 3/20 0.47
TP53 P04637 2/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
IGF1R P08069 1/20 0.44
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.41
PSMD14 O00487 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9190932 0.88 IGF1R (0.51) HTTTSHRTP53KDM4EALDH1A1
SCHEMBL6592538 0.87 NCF1 (0.47) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL9190817 0.85 ALDH1A1 (0.43) HTTTSHRKDM4EALDH1A1MEN1
SCHEMBL6592363 0.84 SMN1; SMN2 (0.46) HTTTSHRTP53KDM4EALDH1A1
SCHEMBL6185025 0.83 NCF1 (0.51) HTTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6589107 0.81 CYP1A2 (0.44) HTTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9191404 0.81 BRAF (0.46) HTTTP53POLBMEN1KMT2A
SCHEMBL9194078 0.81 MAPT (0.50) HTTTP53KDM4EALDH1A1HPGD
SCHEMBL9391328 0.79 NCF1 (0.40) HTTHPGDPOLBMEN1KMT2A
SCHEMBL7381173 0.79 GRM2 (0.44) HTTTSHRALDH1A1IGF1RMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682656-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT 2C? RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-11-22 EP claimed
WO-1994018170-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT2C RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-08-18 WO claimed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed
EP-0682656-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT 2C? RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1995-11-22 EP disclosed
WO-1994018170-A1 USE OF PHENYL HETEROARYL UREAS AS 5HT2C RECEPTOR ANTAGONISTS AND UREA COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-08-18 WO disclosed