SCHEMBL9770475

SCHEMBL9770475

O=[N+]([O-])c1cccc(OCC(O)CSc2ccc(O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.53
NPC1 O15118 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
KMT2A Q03164 2/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL9770481 0.85 BACE1 (0.60) BACE1KMT2AMEN1ALDH1A1MAPT
SCHEMBL9770536 0.82 BACE1 (0.62) BACE1NPC1CHRNB2CHRNA4KMT2A
SCHEMBL9770540 0.82 BACE1 (0.54) BACE1NPC1KMT2AMAOBALDH1A1
SCHEMBL11241976 0.82 CHRNB2 (0.56) NPC1CHRNB2CHRNA4KMT2AMAOB
SCHEMBL9770505 0.81 BACE1 (0.44) BACE1KMT2AMEN1ALDH1A1TSHR
SCHEMBL9770438 0.79 TSHR (0.59) BACE1TSHRMAPTADRB3
SCHEMBL9770148 0.79 BACE1 (0.58) BACE1KMT2AMAOBALDH1A1TSHR
SCHEMBL9770455 0.79 BACE1 (0.58) BACE1NPC1KMT2ATSHRSMN1; SMN2
SCHEMBL9770402 0.79 BACE1 (0.58) BACE1KMT2AMEN1ALDH1A1TSHR
SCHEMBL9770581 0.79 ALDH1A1 (0.48) BACE1KMT2AMEN1ALDH1A1ALOX15

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