SCHEMBL4533530

SCHEMBL4533530

NC(=O)N(c1ccc([N+](=O)[O-])cc1O)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
CXCR1 P25024 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
GPR35 Q9HC97 2/20 0.41
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KCNMA1 Q12791 2/20 0.40
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
PDE7A Q13946 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
SCHEMBL29967745 1.00 CXCR2 (0.49) CXCR2KMT2AMEN1CXCR1TDP1
SCHEMBL27605652 0.89 CXCR2 (0.45) CXCR2KMT2AMEN1CXCR1TDP1
SCHEMBL27587711 0.88 GPR35 (0.51) CXCR2KMT2ACXCR1TDP1GPR35
SCHEMBL27605657 0.86 GPR35 (0.49) CXCR2KMT2AMEN1CXCR1TDP1
SCHEMBL27587727 0.85 KCNMA1 (0.42) CXCR2KMT2AMEN1CXCR1TDP1
SCHEMBL27605655 0.85 GPR35 (0.41) CXCR2KMT2AMEN1CXCR1TDP1
SCHEMBL6820216 0.85 KMT2A (0.46) CXCR2KMT2AMEN1CXCR1TDP1
SCHEMBL27587702 0.83 MGLL (0.45) CXCR2KMT2AMEN1CXCR1TDP1
SCHEMBL6823913 0.82 SIGMAR1 (0.50) KMT2AMEN1GPR35THRBNPC1
SCHEMBL27587736 0.82 TP53 (0.42) CXCR2KMT2AMEN1CXCR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105358677-A Compositions and methods for epithelial stem cell expansion and culture BRIGHAM & WOMENS HOSPITAL 2016-02-24 CN disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
CN-102725311-A Methods of treating inflammation CAROLUS THERAPEUTICS INC 2012-10-10 CN disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 CN disclosed