SCHEMBL7479031

SCHEMBL7479031

C1=CC(c2ccccc2)(c2ccc(N3CCOCC3)cc2)Oc2ccc3ccccc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 7/20 0.40
MAPT P10636 7/20 0.40
NPC1 O15118 3/20 0.40
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
PTK2B Q14289 1/20 0.39
LMNA P02545 3/20 0.39
GLA P06280 1/20 0.39
KDM1A O60341 1/20 0.39
PRKDC P78527 3/20 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
SCHEMBL3823227 0.90 SMN1; SMN2 (0.39) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL7473370 0.90 MAPT (0.41) SMN1; SMN2HTTKDM4EMAPTL3MBTL1
SCHEMBL24620639 0.90 SMN1; SMN2 (0.42) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL24620629 0.88 SMN1; SMN2 (0.42) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL3829545 0.88 SMN1; SMN2 (0.37) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL4670962 0.88 PRKDC (0.39) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL4676232 0.87 PRKDC (0.39) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL2599693 0.87 SMN1; SMN2 (0.37) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL4670960 0.87 PRKDC (0.39) SMN1; SMN2HTTKDM4EMAPTNPC1
SCHEMBL4677173 0.87 PRKDC (0.39) SMN1; SMN2HTTKDM4EMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973761-B1 RED COLOURING HYPERCHROMIC 3H-NAPHTHO 2,1-b ]PYRANS JAMES ROBINSON LTD (GB) 2002-07-03 EP claimed
US-6294112-B1 Red coloring hyperchromic 3H-naphtho[2,1-B]pyrans JAMES ROBINSON LIMITED (GB) 2001-09-25 US claimed
EP-0973761-A1 RED COLOURING HYPERCHROMIC 3$i(H)-NAPHTHO 2,1-$i(b)]PYRANS JAMES ROBINSON LIMITED (GB) 2000-01-26 EP claimed
WO-1998045281-A1 RED COLOURING HYPERCHROMIC 3H-NAPHTHO[2,1-b]PYRANS JAMES ROBINSON LIMITED (GB) 1998-10-15 WO claimed
EP-0973761-B1 RED COLOURING HYPERCHROMIC 3H-NAPHTHO 2,1-b ]PYRANS JAMES ROBINSON LTD (GB) 2002-07-03 EP disclosed
US-6294112-B1 Red coloring hyperchromic 3H-naphtho[2,1-B]pyrans JAMES ROBINSON LIMITED (GB) 2001-09-25 US disclosed