SCHEMBL21392074

SCHEMBL21392074

COCCC(C(=O)OC)c1ccnc(N(Cc2ccc(OC)cc2)SC)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
APLNR P35414 5/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 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
SCHEMBL21392073 0.83 APLNR (0.42) USP2TSHRAPLNRALDH1A1SMN1; SMN2
SCHEMBL30725701 0.83 APLNR (0.42) USP2TSHRAPLNRALDH1A1SMN1; SMN2
SCHEMBL21392246 0.78 APLNR (0.35) APLNRALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL21392320 0.74 USP2 (0.35) USP2TSHRALDH1A1SMN1; SMN2HTT
SCHEMBL28478417 0.73 CASP6 (0.42) ALDH1A1HTTMEN1KMT2ARAB9A
SCHEMBL30518337 0.71 HPGD (0.33) TSHRALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL21392137 0.71 HPGD (0.33) TSHRALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL21392150 0.70 RAB9A (0.32) USP2TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL21392075 0.69 ALDH1A1 (0.35) USP2TSHRAPLNRALDH1A1SMN1; SMN2
SCHEMBL21392069 0.69 APLNR (0.36) APLNR

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
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed