SCHEMBL5550206

SCHEMBL5550206

COC(=O)c1cc2c(Cl)cc(Cl)cc2c2c1C=CC(c1ccccc1)(c1ccc(N3CCCC3)cc1)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
CYP2C9 P11712 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
AVPR2 P30518 2/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
HTR6 P50406 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7777302 0.84 DHODH (0.37) MEN1KMT2ACYP2C9CYP1A2CYP3A4
SCHEMBL14629673 0.84 HIF1A (0.38) MEN1KMT2ACYP2C9CYP1A2CYP3A4
SCHEMBL7784037 0.82 MAPT (0.38) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL7785460 0.82 MAPT (0.39) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL5549293 0.81 MAPT (0.39) MEN1KMT2ACYP2C9CYP2C19NPC1
SCHEMBL7784131 0.81 MAPT (0.39) MEN1KMT2ACYP2C9CYP2C19NPC1
SCHEMBL7473791 0.80 NPC1 (0.33) MEN1KMT2ACYP2C9CYP1A2CYP3A4
SCHEMBL891063 0.80 LRP6 (0.33) MEN1KMT2ACYP2C9CYP1A2CYP3A4
SCHEMBL15693594 0.80 NR4A2 (0.34) MEN1KMT2ACYP2C9CYP1A2CYP3A4
SCHEMBL15693690 0.79 DHODH (0.35) MEN1KMT2ACYP2C9CYP1A2CYP3A4

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 4 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-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