SCHEMBL9770504

SCHEMBL9770504

N#Cc1cccc(OCC(O)CSc2ccc(O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.58
HRH1 P35367 3/20 0.42
CCR3 P51677 3/20 0.42
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
HSD17B10 Q99714 2/20 0.40
KMT2A Q03164 1/20 0.40
MMP3 P08254 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
PPARD Q03181 1/20 0.36
GPR34 Q9UPC5 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
SCHEMBL9770536 0.84 BACE1 (0.62) BACE1PRMT5WDR77HSD17B10KMT2A
SCHEMBL9480490 0.83 BACE1 (0.80) BACE1HSD17B10KMT2ANPC1RAB9A
SCHEMBL9770570 0.81 BACE1 (0.76) BACE1HSD17B10KMT2ANPC1RAB9A
SCHEMBL9770148 0.81 BACE1 (0.58) BACE1HSD17B10KMT2ARAB9AMAPK1
SCHEMBL9770438 0.81 TSHR (0.59) BACE1MAPK1TSHRHIF1AL3MBTL1
SCHEMBL9770455 0.81 BACE1 (0.58) BACE1PRMT5WDR77HSD17B10KMT2A
SCHEMBL9770402 0.81 BACE1 (0.58) BACE1KMT2AMAPK1TSHRHIF1A
SCHEMBL9770232 0.80 BACE1 (0.64) BACE1PRMT5WDR77HSD17B10KMT2A
SCHEMBL9770389 0.80 BACE1 (0.64) BACE1PRMT5WDR77HSD17B10KMT2A
SCHEMBL9770465 0.78 BACE1 (0.76) BACE1HSD17B10KMT2ANPC1RAB9A

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
US-5071822-A Electron donating colorless dye, electron accepting derivative of 1-(4-hydroxyphenylthio)-3-oxy-2-propanol; heat sensitive, image stability KAO CORPORATION (JP) 1991-12-10 US disclosed
EP-0338587-A2 Recording material KAO CORPORATION (JP) 1989-10-25 EP disclosed