SCHEMBL4649057

SCHEMBL4649057

O=C(C=CSc1ccccc1)NOc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
PLIN1 O60240 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
PLIN5 Q00G26 1/20 0.51
ABHD5 Q8WTS1 1/20 0.51
MEN1 O00255 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
METAP2 P50579 9/20 0.36
METAP1 P53582 7/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 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
SCHEMBL15442392 0.85 ALDH1A1 (0.39) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL15442389 0.80 ALDH1A1 (0.34) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL4648336 0.77 NPC1 (0.50) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL9923613 0.76 MAPT (0.58) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL9923615 0.76 MAPT (0.58) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL29486039 0.76 MTNR1A (0.42) ALDH1A1LMNAMAPTMETAP2METAP1
SCHEMBL4648121 0.76 ALDH1A1 (0.67) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL3986444 0.75 MAPT (0.56) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL9277123 0.75 MAPT (0.56) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL10436437 0.75 HDAC2 (0.61) ALDH1A1LMNAMAPTPLIN1HTT

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