SCHEMBL28820828

SCHEMBL28820828

C=CCC1Nc2ccccc2S1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 4/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
ALOX15 P16050 3/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
BCHE P06276 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALOX12 P18054 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL31403242 0.79 IDO1 (0.55) IDO1MEN1KMT2ABRD4CREBBP
SCHEMBL5437237 0.76 IDO1 (0.52) IDO1MEN1KMT2ABRD4CREBBP
SCHEMBL10738044 0.73 IDO1 (0.48) IDO1MEN1KMT2ABRD4CREBBP
SCHEMBL18101183 0.71 IDO1 (0.47) IDO1MEN1KMT2ABRD4CREBBP
SCHEMBL20646066 0.71 IDO1 (0.47) IDO1MEN1KMT2ABRD4CREBBP
SCHEMBL22360431 0.71 IDO1 (0.47) IDO1MEN1KMT2ABRD4CREBBP
SCHEMBL20751699 0.71 IDO1 (0.47) IDO1MEN1KMT2ABRD4CREBBP
SCHEMBL16623324 0.71 IDO1 (0.47) IDO1MEN1KMT2ABRD4CREBBP
SCHEMBL11048313 0.70 IDO1 (0.41) IDO1MEN1KMT2ABRD4CREBBP
SCHEMBL25288630 0.70 HSD17B10 (0.56) IDO1MEN1KMT2ARAB9AHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed