SCHEMBL21135377

SCHEMBL21135377

O=C1c2ccccc2NC1C1Oc2ccccc2C1=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 4/20 0.35
CYB5R3 P00387 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
CYP19A1 P11511 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDGFRA P16234 1/20 0.33
FER P16591 1/20 0.33
LTK P29376 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
SCHEMBL21135597 0.85 RET (0.42) PARP1LMNATSHRMEN1KMT2A
SCHEMBL21135350 0.76 LMNA (0.42) LMNATSHRMEN1KMT2APOLB
SCHEMBL6557130 0.75 TSHR (0.50) LMNATSHRMEN1KMT2APOLB
SCHEMBL19568178 0.75 TSHR (0.50) LMNATSHRMEN1KMT2APOLB
SCHEMBL21135343 0.68 L3MBTL1 (0.41) LMNATSHRMEN1KMT2APOLB
SCHEMBL21135378 0.67 ALDH1A1 (0.36) LMNATSHRKMT2AKDM4EHSD17B10
SCHEMBL22131494 0.64 MEN1 (0.40) PARP1LMNATSHRMEN1KMT2A
SCHEMBL19854691 0.62 PTPRC (0.46) LMNATSHRMEN1KMT2AKDR
SCHEMBL21135349 0.61 L3MBTL1 (0.45) LMNATSHRMEN1KMT2APOLB
SCHEMBL9899341 0.61 IDO1 (0.45) LMNATSHRKDM4EHSD17B10ALDH1A1

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
US-20190194464-A1 MODIFIED DYE COMPOUNDS AND METHODS OF DYEING SUBSTRATES THE H.D. LEE COMPANY, INC. 2019-06-27 US disclosed