SCHEMBL5550984

SCHEMBL5550984

C1=CC(c2ccccc2)(c2ccc(N3CCOCC3)cc2)Oc2c1ccc1ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
MAPT P10636 7/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
PTK2B Q14289 1/20 0.39
LMNA P02545 2/20 0.39
KDM1A O60341 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PRKDC P78527 5/20 0.37
XRCC6 P12956 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
SCHEMBL1699832 0.84 ALDH1A1 (0.34) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7479031 0.82 SMN1; SMN2 (0.43) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL3821891 0.81 MAPT (0.42) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL8038479 0.79 AHR (0.38) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL8509702 0.78 MEN1 (0.43) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL7971543 0.77 KIF11 (0.40) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL24620642 0.77 LMNA (0.41) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL8315808 0.77
SCHEMBL7562196 0.76 AHR (0.36) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL14267930 0.75 KDM4E (0.40) KDM4EMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975619-B1 INTENSE COLOURING PHOTOCHROMIC 2H-NAPHTHO[1,2-b] PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LTD (GB) 2007-01-03 EP disclosed
EP-0975619-A1 INTENSE COLOURING PHOTOCHROMIC 2$i(H)-NAPHTHO 1,2-$i(b)]PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LIMITED (GB) 2000-02-02 EP disclosed
WO-1998042695-A1 INTENSE COLOURING PHOTOCHROMIC 2H-NAPHTHO[1,2-b]PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LIMITED (GB) 1998-10-01 WO disclosed