SCHEMBL31297773

SCHEMBL31297773

O=C(C1Nc2ccccc2S1)C1Nc2ccccc2S1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
HSD17B10 Q99714 5/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
USP2 O75604 1/20 0.39
ESR1 P03372 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
PTPN7 P35236 1/20 0.39
RECQL P46063 1/20 0.39
ESR2 Q92731 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
HTT P42858 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
TSHR P16473 2/20 0.38

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
SCHEMBL23673718 0.86 IDO1 (0.50) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL14959585 0.85 IDO1 (0.48) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL19675522 0.80 IDO1 (0.44) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL12187940 0.80 IDO1 (0.44) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL29092445 0.80 IDO1 (0.52) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL24029284 0.78 IDO1 (0.42) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL38664322 0.73 IDO1 (0.38) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL1754221 0.72 IDO1 (0.57) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL11118464 0.72 IDO1 (0.57) IDO1HSD17B10GLARAB9AKDM4E
SCHEMBL15933851 0.72 MAPT (0.46) SMN1; SMN2MAPTMAPK1BCHEACHE

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-119241468-A Dotenor mine Synthesis method of intermediate 杭州善礼生物医药科技有限公司 2025-01-03 CN disclosed