SCHEMBL8527253

SCHEMBL8527253

Clc1ccc2c(c1)SN=C(NCCCCc1ccccc1)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
TYMP P19971 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
SIGMAR1 Q99720 3/20 0.36
PLAAT3 P53816 2/20 0.36
PLAAT5 Q96KN8 2/20 0.36
PLAAT2 Q9NWW9 2/20 0.36
PLAAT4 Q9UL19 2/20 0.36
MAPT P10636 3/20 0.36
ACKR3 P25106 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL8583938 0.92 CCNC (0.43) PIK3CDPIK3R1GPR84LMNAALDH1A1
SCHEMBL16974903 0.81 GSK3B (0.40) GPR84HTTSMN1; SMN2CCNCCDK8
SCHEMBL8581133 0.80 CASR (0.39) LMNAALDH1A1HTTMEN1KMT2A
SCHEMBL8661278 0.80 LMNA (0.31) LMNAALDH1A1MEN1KMT2AMAPT
SCHEMBL16974869 0.80 HDAC8 (0.39) MEN1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL8579615 0.79 FERMT2 (0.38) HTR2BBCHEACHENOX1
SCHEMBL8582680 0.76 CCR1 (0.30)
SCHEMBL8584700 0.76 NPC1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL7957832 0.75 TAAR1 (0.55) PIK3CDPIK3R1TYMPGPR84LMNA
SCHEMBL8608250 0.75 ADRA2A (0.39) LMNAALDH1A1TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099304-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA Mayo Foundation for Medical Education and Research (US) 2016-12-07 EP disclosed
WO-2015117024-A1 NOVEL THERAPEUTICS FOR THE TREATMENT OF GLAUCOMA MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-08-06 WO disclosed
EP-0906297-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-04-07 EP disclosed
WO-1997049692-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-12-31 WO disclosed