SCHEMBL8133952

SCHEMBL8133952

CC(=O)Cc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ TXNRD1 Q16881 1/20 0.53
▸ TXNRD3 Q86VQ6 1/20 0.53
▸ TXNRD2 Q9NNW7 1/20 0.53
▸ MAPK1 P28482 5/20 0.50
▸ HPD P32754 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ PTPN5 P54829 1/20 0.45

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
SCHEMBL2977227 0.80 HPD (0.52) CYP3A4ALDH1A1HPGDMAPK1HPD
SCHEMBL24118044 0.80 MAPK1 (0.59) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL9952299 0.76 CYP3A4 (0.59) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL994270 0.73 ALDH1A1 (0.66) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL11444409 0.73 ALDH1A1 (0.66) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL9316398 0.73 GPR35 (0.66) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL9952302 0.73 ALDH1A1 (0.59) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL26103819 0.72 SMN1; SMN2 (0.47) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL16580953 0.72 GAA (0.53) CYP3A4ALDH1A1TDP1TSHRHPGD
SCHEMBL16580989 0.72 GAA (0.53) CYP3A4ALDH1A1TDP1TSHRHPGD

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
US-6159665-A Processes using photosensitive materials including a nitro benzyl ester photoacid generator LUCENT TECHNOLOGIES INC. (US) 2000-12-12 — — US disclosed
US-5830619-A BLEND OF POLYMER AND ACID GENERATING MATERIAL LUCENT TECHNOLOGIES INC. (US) 1998-11-03 — — US disclosed
EP-0631188-B1 Resist materials AT & T CORP (US) 1997-09-10 — — EP disclosed
EP-0631188-A1 Resist materials AT&T Corp. (US) 1994-12-28 — — EP disclosed
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