SCHEMBL8043355

SCHEMBL8043355

F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.N#[N+]c1ccccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
TDP1 Q9NUW8 5/20 0.44
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
GPR35 Q9HC97 1/20 0.39
TSHR P16473 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
CTSD P07339 1/20 0.39
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
CRHBP P24387 1/20 0.37

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
SCHEMBL534832 1.00 ALDH1A1 (0.44) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL1411626 0.92 HSD17B10 (0.48) ALDH1A1TDP1HSD17B10KMT2AMEN1
Hydrochloric Acid SCHEMBL6868421 0.90 HSD17B10 (0.47) ALDH1A1TDP1HSD17B10KMT2AMEN1
Hydrochloric Acid SCHEMBL9658607 0.90 HSD17B10 (0.47) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL11224696 0.89 ALDH1A1 (0.44) ALDH1A1TDP1HSD17B10KMT2AMEN1
Perchlorate SCHEMBL5573886 0.87 ALDH1A1 (0.46) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL11585259 0.85 ALDH1A1 (0.43) ALDH1A1TDP1HSD17B10KMT2AMEN1
SCHEMBL15404199 0.83 TDP1 (0.56) ALDH1A1TDP1HSD17B10KMT2AMEN1
Sulfuric Acid SCHEMBL6861269 0.82 KMT2A (0.46) ALDH1A1TDP1HSD17B10KMT2AMEN1
Trifluoromethanesulfonic Acid SCHEMBL11062810 0.82 KMT2A (0.42) ALDH1A1TDP1HSD17B10KMT2AMEN1

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-0799282-B1 CARBON MATERIALS REACTED WITH DIAZONIUM SALTS CABOT CORP (US) 2000-04-05 EP disclosed
EP-0799282-A1 CARBON MATERIALS REACTED WITH DIAZONIUM SALTS CABOT CORPORATION (US) 1997-10-08 EP disclosed
US-5554739-A Process for preparing carbon materials with diazonium salts and resultant carbon products CABOT CORPORATION (US) 1996-09-10 US disclosed
WO-1996018690-A1 CARBON MATERIALS REACTED WITH DIAZONIUM SALTS CABOT CORPORATION (US) 1996-06-20 WO disclosed