SCHEMBL4648361

SCHEMBL4648361

SC(C=CSc1ccc(Cl)cc1Cl)=Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 9/20 0.40
ICAM1 P05362 9/20 0.40
ITGAL P20701 9/20 0.40
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
AR P10275 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32

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
SCHEMBL4648538 0.86 HTR3E (0.32) MAPTALDH1A1LMNANPSR1
SCHEMBL4645997 0.80 MAPT (0.50) MAPTL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL4646831 0.80 LMNA (0.40) MAPTL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL4645168 0.79 ALDH1A1 (0.39) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL4646889 0.78 CYP1A2 (0.42) MAPTRAB9AALDH1A1LMNANPSR1
SCHEMBL4647179 0.77 NOS3 (0.34) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL4646000 0.77 ALDH1A1 (0.54) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL4646923 0.77 HTR3E (0.44) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL4645251 0.77 NPSR1 (0.35) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL4645534 0.76 MEN1 (0.34) MAPTL3MBTL1RAB9AALDH1A1LMNA

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-1957459-A2 IMINOPROPENE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed