SCHEMBL6800906

SCHEMBL6800906

O=[N+]([O-])c1c[c]ccc1-c1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 0.38
TSHR P16473 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CES1 P23141 1/20 0.38
GPR35 Q9HC97 1/20 0.37
S100A4 P26447 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 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
SCHEMBL28610542 0.90 ALDH1A1 (0.53) TDP1ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL6806454 0.88 TDP1 (0.46) TDP1TSHRALDH1A1CYP3A4MEN1
SCHEMBL3540428 0.85 ALDH1A1 (0.61) TDP1TSHRALDH1A1CYP3A4MEN1
SCHEMBL7814797 0.84 HSD17B10 (0.50) TDP1TSHRALDH1A1CYP3A4MEN1
SCHEMBL2221806 0.84 HPGD (0.41) TDP1TSHRALDH1A1CYP3A4MEN1
SCHEMBL57882 0.84 TSHR (0.40) TDP1TSHRALDH1A1CYP3A4MEN1
SCHEMBL27370328 0.82 TDP1 (0.41) TDP1TSHRALDH1A1MEN1KMT2A
SCHEMBL10511759 0.82 MAPT (0.41) TDP1ALDH1A1MEN1KMT2APOLB
SCHEMBL8522884 0.82 TDP1 (0.41) TDP1ALDH1A1MEN1KMT2APOLB
SCHEMBL1028967 0.80 TDP1 (0.50) TDP1TSHRALDH1A1CYP3A4MEN1

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-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed