SCHEMBL1037516

SCHEMBL1037516

CC(C)(C)OC(=O)c1c[nH]c2c(Br)cccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.50
BRPF1 P55201 1/20 0.43
DYRK1A Q13627 1/20 0.41
CLEC4M Q9H2X3 1/20 0.40
CREBBP Q92793 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
HPGD P15428 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
SCHEMBL17113293 0.84 NR4A2 (0.70) NR4A2BRPF1DYRK1ACREBBPALDH1A1
SCHEMBL5417964 0.83 CLEC4M (0.46) NR4A2BRPF1CLEC4MALDH1A1LMNA
SCHEMBL7004599 0.82 ALDH1A1 (0.62) NR4A2ALDH1A1LMNAHTTMEN1
SCHEMBL3762044 0.78 KDM4E (0.50) NR4A2BRPF1DYRK1AALDH1A1LMNA
SCHEMBL29549088 0.77 PRNP (0.49) HTTMEN1NPC1RAB9AKMT2A
SCHEMBL1936278 0.77 PRNP (0.49) HTTMEN1NPC1RAB9AKMT2A
SCHEMBL5592328 0.77 NR4A2 (0.49) NR4A2CREBBPHTTMEN1NPC1
SCHEMBL30218679 0.77 MEN1 (0.40) NR4A2DYRK1AHTTMEN1NPC1
SCHEMBL6684094 0.76 NR4A2 (0.69) NR4A2CREBBPALDH1A1LMNAHTT
SCHEMBL6029970 0.75 NR4A2 (0.51) NR4A2BRPF1DYRK1ACLEC4MCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 WO disclosed