SCHEMBL27587736

SCHEMBL27587736

CCc1ccccc1N(C(N)=O)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
RORC P51449 1/20 0.41
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR35 Q9HC97 1/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
KCNMA1 Q12791 1/20 0.38

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
SCHEMBL27587704 0.90 GPR35 (0.42) TP53HTTMEN1KMT2AMAPT
SCHEMBL7917222 0.87 MEN1 (0.44) TP53HTTMEN1KMT2AMAPT
SCHEMBL27587742 0.86 PKM (0.44) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL27587711 0.85 GPR35 (0.51) TP53HTTKMT2AMAPTALDH1A1
SCHEMBL27587709 0.84 TDP1 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL27605650 0.84 MEN1 (0.36) TP53HTTMEN1KMT2AMAPT
SCHEMBL27605657 0.84 GPR35 (0.49) TP53MEN1KMT2AMAPTALDH1A1
SCHEMBL27587714 0.83 SMN1; SMN2 (0.47) TP53HTTMEN1KMT2AMAPT
SCHEMBL6820216 0.82 KMT2A (0.46) TP53HTTMEN1KMT2AMAPT
SCHEMBL4533530 0.82 CXCR2 (0.49) TP53MEN1KMT2AMAPTALDH1A1

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