SCHEMBL27587712

SCHEMBL27587712

COc1ccccc1N(C(N)=O)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 4/20 0.46
KCNMA1 Q12791 2/20 0.46
HTT P42858 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL27587733 0.91 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1KCNMA1
SCHEMBL27517615 0.80 TP53 (0.48) MAPTKMT2AALDH1A1HTTTDP1
SCHEMBL27556186 0.80 SMN1; SMN2 (0.47) MAPTKMT2AMEN1ALDH1A1KCNMA1
SCHEMBL6823553 0.80 MYC (0.44) MAPTKMT2AMEN1ALDH1A1KCNMA1
SCHEMBL10424602 0.79 CA1 (0.50) KMT2AALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL6820165 0.79 RORC (0.41) MAPTKMT2AMEN1ALDH1A1KCNMA1
SCHEMBL27587707 0.78 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL27576151 0.77 KMT2A (0.42) MAPTKMT2AMEN1ALDH1A1RECQL
SCHEMBL6824319 0.77 KMT2A (0.44) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL27605673 0.77 MAPT (0.44) MAPTKMT2AMEN1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 CN disclosed