SCHEMBL7929862

SCHEMBL7929862

O=C1c2c(O)ccc(O)c2C(=O)c2c(F)c(Nc3ccc([N+](=O)[O-])cc3)c(F)c(F)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
TSHR P16473 2/20 0.49
HIF1A Q16665 2/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CXCR2 P25025 3/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CXCR1 P25024 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL7927158 0.94 CYP3A4 (0.51) CYP3A4TSHRHIF1AHPGDTP53
SCHEMBL22283388 0.84 CXCR2 (0.55) HPGDSMN1; SMN2CXCR2ALOX12L3MBTL1
SCHEMBL7929772 0.81 HIF1A (0.42) CYP3A4TSHRHIF1AHPGDTP53
SCHEMBL7929794 0.80 PKM (0.44) CYP3A4TSHRHIF1AHPGDTP53
SCHEMBL7928254 0.80 CXCR2 (0.45) CYP3A4TSHRHIF1AHPGDTP53
SCHEMBL7933240 0.78 PKM (0.41) CYP3A4TSHRHIF1AHPGDTP53
SCHEMBL7930796 0.77 CXCR2 (0.44) CYP3A4TSHRHIF1ACXCR2CYP1A2
SCHEMBL7921197 0.77 MAPT (0.43) HPGDSMN1; SMN2ALOX12L3MBTL1CA1
SCHEMBL7928605 0.77 MEN1 (0.40) CYP3A4TSHRHIF1ASMN1; SMN2CYP1A2
SCHEMBL7930479 0.76 CYP3A4 (0.54) CYP3A4TSHRHIF1AHPGDTP53

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