SCHEMBL22265347

SCHEMBL22265347

CC(C)(C)OC(=O)N=C(NC(=O)O)N1CC[C@@H](c2nc(-c3ccc(Nc4ccccc4Cl)nc3)no2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.43
SMO Q99835 6/20 0.42
DGAT1 O75907 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ERG P11308 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL22265345 1.00 HSD11B1 (0.43) HSD11B1SMODGAT1LMNAMAPT
SCHEMBL22265348 1.00 HSD11B1 (0.43) HSD11B1SMODGAT1LMNAMAPT
SCHEMBL29523162 0.95 SMO (0.42) HSD11B1SMODGAT1LMNAMAPT
SCHEMBL29523928 0.87 SMO (0.47) HSD11B1SMODGAT1LMNAMAPT
SCHEMBL22265591 0.83 HSD11B1 (0.52) HSD11B1SMODGAT1LMNAMAPT
SCHEMBL22265594 0.83 HSD11B1 (0.52) HSD11B1SMODGAT1LMNAMAPT
SCHEMBL29523791 0.82 SMO (0.38) HSD11B1SMODGAT1LMNAMAPT
SCHEMBL29523344 0.80 SMN1; SMN2 (0.42) HSD11B1SMOLMNAMAPTHTT
SCHEMBL22280553 0.80 SMN1; SMN2 (0.42) HSD11B1SMOLMNAMAPTHTT
SCHEMBL22265686 0.78 SMO (0.38) HSD11B1SMODGAT1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914592-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY University of Virginia Patent Foundation (US) 2021-12-01 EP disclosed
WO-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed