SCHEMBL11048949

SCHEMBL11048949

O=C1c2ccccc2C(=O)c2c1ccc([N+](=O)[O-])c2O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
APEX1 P27695 2/20 0.64
POLB P06746 2/20 0.64
CASP6 P55212 1/20 0.64
ALDH1A1 P00352 4/20 0.59
CYP3A4 P08684 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MAPK1 P28482 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MCL1 Q07820 3/20 0.59
HPGD P15428 3/20 0.59
HSD17B10 Q99714 2/20 0.59
BCL2 P10415 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
MAOA P21397 1/20 0.59
RECQL P46063 1/20 0.59
DAPK1 P53355 1/20 0.59

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
SCHEMBL11480715 0.86 CSNK2A2 (0.71) MAPTAPEX1POLBCASP6ALDH1A1
Athraquinones A SCHEMBL27843357 0.86 MAPT (0.73) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL29543750 0.82 BCL2 (0.60) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL5031418 0.82 BCL2 (0.60) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL155146 0.81 ALDH1A1 (0.69) MAPTAPEX1POLBCASP6ALDH1A1
Nitric Acid SCHEMBL11884408 0.81 ALDH1A1 (0.63) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL11303101 0.80 S100A4 (0.56) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL11583512 0.80 MAOA (0.59) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL28089412 0.80 ALDH1A1 (0.67) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL27987835 0.80 ALDH1A1 (0.67) MAPTAPEX1POLBCASP6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443369-A Sulphur dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1984-04-17 US disclosed
US-4292248-A BY HEATING THE CORRESPONDING DINITRO COMPOUND WITH SODIUM OR POTASSIUM FORMATE IN DIMETHYLFORMAMIDE AMERICAN COLOR & CHEMICAL CORPORATION (US) 1981-09-29 US disclosed
US-4012426-A Purification of 1-nitroanthraquinone SANDOZ LTD. (CH) 1977-03-15 US disclosed
US-3931251-A FROM ANTHRAQUINONE, PURIFICATION USING SULFUROUS ACID SALT BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 US disclosed
US-3906013-A Process for the manufacture of nitro-hydroxy-anthraquinones BAYER AG 1975-09-16 US disclosed