SCHEMBL3719692

SCHEMBL3719692

O=C(O)Nc1cccc(CBr)c1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
EPHX2 P34913 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
CXCL8 P10145 1/20 0.38
MEP1B Q16820 1/20 0.38
CLCN2 P51788 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
PTGS2 P35354 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 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
SCHEMBL963475 0.85 KDM4E (0.47) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL15163036 0.84 ALDH1A1 (0.46) MEN1KMT2AEPHX2MAPTSMN1; SMN2
SCHEMBL3530917 0.82 L3MBTL1 (0.49) MEN1KMT2AMAPTHTTCLCN2
SCHEMBL3440070 0.82 ALDH1A1 (0.54) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL22557359 0.79 GPR35 (0.49) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL28856079 0.77 LMNA (0.44) LMNAPOLB
SCHEMBL29843518 0.77 LMNA (0.44) LMNAPOLB
SCHEMBL3415512 0.77 KMT2A (0.49) MEN1KMT2ASMN1; SMN2HTTL3MBTL1
SCHEMBL2089517 0.76 KMT2A (0.52) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL1646172 0.73 MRGPRX4 (0.48) CLCN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524750-B2 (Pyrazol-3-yl)-1,3,4-thiadiazol-2-amine and (pyrazol-3-yl)-1,3,4-thiazol-2-amine compounds GLAXO GROUP LIMITED (GB) 2013-09-03 US disclosed
EP-2419426-B1 (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LTD (GB) 2013-08-14 EP disclosed
WO-2010118852-A1 ( PYRAZOL-3-YL) -1, 3, 4-THIADIAZOL-2-AMINE AND ( PYRAZOL-3-YL) -1, 3, 4-THIAZOL-2-AMINE COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-10-21 WO disclosed