SCHEMBL7734199

SCHEMBL7734199

O=[N+]([O-])c1cccc(N(c2ccccc2)P(=O)(O)O)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
FBP1 P09467 1/20 0.40
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
S100A4 P26447 2/20 0.37
PTPRC P08575 1/20 0.37
GPR35 Q9HC97 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL28221727 0.74 TDP1 (0.63) ALDH1A1TDP1FBP1CRHBPCRHR2
SCHEMBL7740408 0.71 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ACA2
SCHEMBL7769469 0.70 GPR35 (0.56) ALDH1A1TDP1FBP1CRHBPCRHR2
SCHEMBL3191298 0.70 TDP1 (0.53) ALDH1A1TDP1FBP1CRHBPCRHR2
SCHEMBL7740475 0.69 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ANPSR1
SCHEMBL10477073 0.69 ALDH1A1 (0.53) ALDH1A1TDP1FBP1MEN1KMT2A
SCHEMBL28539708 0.68 GPR35 (0.55) ALDH1A1TDP1FBP1CRHBPCRHR2
SCHEMBL8530739 0.68 MEN1 (0.48) ALDH1A1TDP1MEN1KMT2ACA2
SCHEMBL2309806 0.68 MEN1 (0.48) ALDH1A1TDP1MEN1KMT2ACA2
SCHEMBL9444834 0.68 TDP1 (0.71) ALDH1A1TDP1FBP1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414060-B1 ADDITION-CONDENSATION COPOLYMER ALBEMARLE CORPORATION 2002-07-02 US disclosed
EP-1067153-A1 Flame retardant polycarbonate-ABS polymer compositions ALBEMARLE CORPORATION (US) 2001-01-10 EP disclosed