SCHEMBL22280436

SCHEMBL22280436

Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPK1 P28482 2/20 0.64
LMNA P02545 2/20 0.64
TSHR P16473 2/20 0.64
HTT P42858 2/20 0.64
TP53 P04637 1/20 0.64
ALOX15 P16050 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MAPT P10636 2/20 0.62
RAB9A P51151 2/20 0.62
GRM5 P41594 2/20 0.58
CLPP Q16740 1/20 0.58
HSD11B1 P28845 5/20 0.57
HDAC4 P56524 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NPC1 O15118 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL192613 1.00 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPK1LMNATSHR
SCHEMBL5769537 1.00 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPK1LMNATSHR
SCHEMBL22280590 0.95 LMNA (0.57) ALDH1A1SMN1; SMN2MAPK1LMNATSHR
SCHEMBL22280276 0.95 LMNA (0.57) ALDH1A1SMN1; SMN2MAPK1LMNATSHR
SCHEMBL192156 0.91 GRM5 (0.71) ALDH1A1SMN1; SMN2MAPK1LMNATSHR
SCHEMBL193516 0.91 GRM5 (0.71) ALDH1A1SMN1; SMN2MAPK1LMNATSHR
SCHEMBL193106 0.91 GRM5 (0.71) ALDH1A1SMN1; SMN2MAPK1LMNATSHR
SCHEMBL193158 0.91 HSD11B1 (0.70) ALDH1A1HSD11B1
SCHEMBL193157 0.91 HSD11B1 (0.70) ALDH1A1HSD11B1
SCHEMBL193587 0.90 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2MAPK1LMNATSHR

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-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed