SCHEMBL22265686

SCHEMBL22265686

CC(C)(C)OC(=O)N/C(=N\C(=O)O)N1CC[C@@H](c2nc(-c3ccc(Nc4cc(Br)ccc4Br)nc3)no2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.38
HSD11B1 P28845 7/20 0.37
ALDH1A1 P00352 2/20 0.36
KIT P10721 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DGAT1 O75907 1/20 0.35
GRM5 P41594 1/20 0.35
RAB9A P51151 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
SCHEMBL22265691 1.00 SMO (0.38) SMOHSD11B1ALDH1A1KITKDM4E
SCHEMBL22265688 1.00 SMO (0.38) SMOHSD11B1ALDH1A1KITKDM4E
SCHEMBL29523791 0.95 SMO (0.38) SMOHSD11B1ALDH1A1KITKDM4E
SCHEMBL29522926 0.87 HDAC6 (0.43) SMOHSD11B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL22265592 0.85 SMN1; SMN2 (0.42) SMOHSD11B1ALDH1A1KDM4EGAA
SCHEMBL22265599 0.85 SMN1; SMN2 (0.42) SMOHSD11B1ALDH1A1KDM4EGAA
SCHEMBL22265596 0.85 SMN1; SMN2 (0.42) SMOHSD11B1ALDH1A1KDM4EGAA
SCHEMBL22265471 0.83 HSD11B1 (0.44) HSD11B1ALDH1A1SMN1; SMN2DGAT1GRM5
SCHEMBL22265474 0.83 HSD11B1 (0.44) HSD11B1ALDH1A1SMN1; SMN2DGAT1GRM5
SCHEMBL29523162 0.82 SMO (0.42) SMOHSD11B1MAPTSMN1; SMN2DGAT1

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