SCHEMBL27587723

SCHEMBL27587723

NC(=O)N(c1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GPR35 Q9HC97 1/20 0.39
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL27587720 0.87 GPR35 (0.43) MEN1KMT2ANPC1POLBTSHR
SCHEMBL6920017 0.86 CXCR1 (0.55) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL27587702 0.86 MGLL (0.45) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL27605699 0.83 GPR35 (0.46) MEN1KMT2ATSHRALDH1A1GAA
SCHEMBL27587711 0.83 GPR35 (0.51) KMT2ATSHRALDH1A1GAAMAPT
SCHEMBL27605646 0.82 MAPT (0.46) MEN1KMT2ANPC1POLBALDH1A1
SCHEMBL29967745 0.80 CXCR2 (0.49) MEN1KMT2ANPC1TSHRALDH1A1
SCHEMBL4533530 0.80 CXCR2 (0.49) MEN1KMT2ANPC1TSHRALDH1A1
SCHEMBL11109620 0.79 KDM4E (0.47) MEN1KMT2AALDH1A1MAPTCXCR1
SCHEMBL6824083 0.79 L3MBTL1 (0.42) KMT2ANPC1POLBTSHRALDH1A1

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