SCHEMBL11096648

SCHEMBL11096648

CSC(=Cc1c(Cl)nc(-c2ccccc2)n1Cc1ccccc1F)[S+](C)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
RORC P51449 1/20 0.33
BRD4 O60885 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
THRB P10828 1/20 0.32
P2RX7 Q99572 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL11269744 1.00 TP53 (0.44) TP53GAAALDH1A1MAPTMAPK1
SCHEMBL11260659 0.90 NPC1 (0.34) TP53GAAALDH1A1LMNAHTT
SCHEMBL11098910 0.90 NPC1 (0.34) TP53GAAALDH1A1LMNAHTT
SCHEMBL11391332 0.78 TP53 (0.44) TP53GAAALDH1A1MAPTMAPK1
SCHEMBL11095083 0.76 TP53 (0.55) TP53GAAALDH1A1MAPTMAPK1
SCHEMBL11098540 0.68 TP53 (0.53) TP53GAAALDH1A1MAPTMAPK1
SCHEMBL11098803 0.66 IDO1 (0.43) TP53GAAALDH1A1LMNAHTT
SCHEMBL11572736 0.61 LMNA (0.38) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL11572735 0.61 LMNA (0.38) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL11160756 0.61 ALDH1A1 (0.51) TP53GAAALDH1A1MAPK1LMNA

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
EP-0028834-B1 IMIDAZOLE-5-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-01-18 EP disclosed
US-4355040-A Hypotensive imidazole-5-acetic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-10-19 US disclosed
EP-0028834-A1 Imidazole-5-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-05-20 EP disclosed