SCHEMBL16623324

SCHEMBL16623324

O=NCC1Nc2ccccc2S1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
HSD17B10 Q99714 5/20 0.36
GLA P06280 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
ESR1 P03372 1/20 0.33
THRB P10828 1/20 0.33

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) IDO1HSD17B10GLABRD4CREBBP
SCHEMBL5437237 0.76 IDO1 (0.52) IDO1HSD17B10GLABRD4CREBBP
SCHEMBL25288630 0.74 HSD17B10 (0.56) IDO1HSD17B10GLATSHRALDH1A1
SCHEMBL10738044 0.73 IDO1 (0.48) IDO1HSD17B10GLABRD4CREBBP
SCHEMBL28820828 0.71 IDO1 (0.47) IDO1HSD17B10GLABRD4CREBBP
SCHEMBL20751699 0.71 IDO1 (0.47) IDO1HSD17B10GLABRD4CREBBP
SCHEMBL20646066 0.71 IDO1 (0.47) IDO1HSD17B10GLABRD4CREBBP
SCHEMBL18101183 0.71 IDO1 (0.47) IDO1HSD17B10GLABRD4CREBBP
Sulfuric Acid SCHEMBL9171022 0.71 IDO1 (0.43) IDO1HSD17B10GLABRD4CREBBP
SCHEMBL5198966 0.71 HSD17B10 (0.47) IDO1HSD17B10GLATSHRALDH1A1

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
EP-2857018-A1 Treatment or prophylaxis of proliferative conditions University Court of The University of Dundee (GB) 2015-04-08 EP disclosed