SCHEMBL23936828

SCHEMBL23936828

O=C(NI)C1CCCNC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.59
SLC6A11 P48066 1/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SLC6A13 Q9NSD5 1/20 0.59
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
CYP2D6 P10635 1/20 0.57
NOS2 P35228 1/20 0.47
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
ULK1 O75385 1/20 0.41
ROCK2 O75116 1/20 0.39
CDK9 P50750 1/20 0.38
ALOX15 P16050 1/20 0.37
F10 P00742 1/20 0.36
CTSC P53634 1/20 0.35

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
SCHEMBL16025168 0.88
SCHEMBL13485777 0.82 SLC6A1 (0.61) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL714760 0.80 SLC6A1 (0.59) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL2827677 0.80 KDM4E (0.62) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL3824801 0.80 KDM4E (0.62) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL14756718 0.80 KDM4E (0.62) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL6950605 0.80 SLC6A1 (0.59) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL1088191 0.80 SLC6A1 (0.59) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL1088241 0.80 SLC6A1 (0.59) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL20460584 0.79 SLC6A1 (0.53) SLC6A1SLC6A11TSHRLMNASMN1; SMN2

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-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 EP disclosed