SCHEMBL7921272

SCHEMBL7921272

CCCCNc1c(Nc2ccccc2[N+](=O)[O-])c(OCCCC)c2c(c1OCCCC)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MAPT P10636 7/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
RAF1 P04049 1/20 0.40
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
PKM P14618 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
KAT2B Q92831 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 2/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 2/20 0.38
HPGD P15428 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
SCHEMBL7927276 0.85 MAPT (0.43) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7927081 0.83 MAPT (0.42) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7929944 0.82 TSHR (0.39) L3MBTL1ALDH1A1TDP1GAACYP3A4
SCHEMBL7921278 0.82 ADAMTS5 (0.42) KMT2ASMN1; SMN2MEN1MAPK1L3MBTL1
SCHEMBL7930855 0.81 TLR8 (0.44) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7927465 0.74 MGLL (0.40) GAAHPGD
SCHEMBL7929765 0.73 TBXA2R (0.37)
SCHEMBL7929771 0.73 GAA (0.41) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL7928384 0.72 MAPT (0.49) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7930683 0.72 CYP3A4 (0.56) KMT2AMAPTSMN1; SMN2NPC1RAB9A

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-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed