SCHEMBL6262245

SCHEMBL6262245

CC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
HPGD P15428 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ACP1 P24666 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
XBP1 P17861 1/20 0.47

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
SCHEMBL10891923 0.84 CA1 (0.59) MEN1KMT2AHPGDCA1CA2
SCHEMBL3614658 0.81 L3MBTL1 (0.55) MEN1KMT2AHPGDCYP1A2CYP3A4
SCHEMBL1947815 0.80 HPGD (0.62) MEN1KMT2AHPGDCYP1A2CYP3A4
SCHEMBL3088486 0.78 MEN1 (0.60) MEN1KMT2AHPGDCYP1A2CYP2C9
SCHEMBL11640367 0.78 CYP1A2 (0.59) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10657993 0.77 KMT2A (0.47) MEN1KMT2AACP1SMN1; SMN2MAPT
SCHEMBL27647737 0.76 MEN1 (0.60) MEN1KMT2AHPGDSMN1; SMN2MAPT
SCHEMBL3065489 0.76 ALDH1A1 (0.59) MEN1KMT2AHPGDACP1SMN1; SMN2
SCHEMBL10657866 0.76 ACP1 (0.54) MEN1KMT2AACP1SMN1; SMN2MAPT
SCHEMBL7335938 0.75 SMN1; SMN2 (0.69) MEN1KMT2AHPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592738-B1 RESIN COMPOSITIONS CIBA HOLDING INC (CH) 2020-07-29 EP disclosed
EP-1592738-A2 RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2005-11-09 EP disclosed
WO-2004072168-A2 RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-26 WO disclosed