SCHEMBL7473370

SCHEMBL7473370

COc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c(ccc4ccccc34)O2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.39
AKR1C3 P42330 1/20 0.38
MERTK Q12866 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PIK3CD O00329 1/20 0.38
XRCC6 P12956 1/20 0.38
XRCC5 P13010 1/20 0.38
PRKDC P78527 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7479031 0.90 SMN1; SMN2 (0.43) MAPTL3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24620658 0.89 KDM4E (0.40) MAPTL3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5615531 0.87 ALDH1A1 (0.43) MAPTKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL5615321 0.85 SMN1; SMN2 (0.43) MAPTL3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3823227 0.85 SMN1; SMN2 (0.39) MAPTL3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3041820 0.84 TP53 (0.38) MAPTL3MBTL1TP53THRBKMT2A
SCHEMBL24620639 0.84 SMN1; SMN2 (0.42) MAPTL3MBTL1TP53KMT2AALDH1A1
SCHEMBL24620629 0.83 SMN1; SMN2 (0.42) MAPTL3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8721095 0.83 KMT2A (0.40) MAPTKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL3829545 0.83 SMN1; SMN2 (0.37) MAPTL3MBTL1KMT2AALDH1A1SMN1; SMN2

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 2 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