SCHEMBL4648534

SCHEMBL4648534

O=C(/C=C/Sc1ccccc1Cl)NSc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 5/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HPGD P15428 3/20 0.40
HTT P42858 2/20 0.40
PLIN1 O60240 1/20 0.40
PLIN5 Q00G26 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MAOB P27338 1/20 0.35
IDO1 P14902 1/20 0.35
EGFR P00533 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35

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
SCHEMBL4648358 0.87 ITGB2 (0.44) MAPTLMNAALDH1A1NPSR1HTT
SCHEMBL4647175 0.86 NPSR1 (0.40) MAPTLMNAALDH1A1NPSR1HPGD
SCHEMBL4645248 0.81 LMNA (0.43) MAPTLMNAALDH1A1NPSR1HPGD
SCHEMBL4645164 0.80 MAPT (0.48) MAPTLMNAALDH1A1NPSR1HPGD
SCHEMBL4646530 0.79 RAB9A (0.57) MAPTALDH1A1NPSR1NPC1RAB9A
SCHEMBL4646534 0.79 RAB9A (0.57) MAPTALDH1A1NPSR1NPC1RAB9A
SCHEMBL4646825 0.79 MAPT (0.47) MAPTLMNAALDH1A1NPSR1HPGD
SCHEMBL4648491 0.75 ALDH1A1 (0.47) MAPTLMNAALDH1A1NPSR1HPGD
SCHEMBL4648389 0.73 MAPT (0.42) MAPTLMNAALDH1A1NPSR1HPGD
SCHEMBL4644533 0.71 MMP1 (0.61) MAPTLMNAALDH1A1NPSR1HPGD

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