SCHEMBL22280460

SCHEMBL22280460

Cc1ccc(-c2noc(CC3CN(C(=N)N)C3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 6/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
SPHK2 Q9NRA0 3/20 0.47
SPHK1 Q9NYA1 3/20 0.47
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL22280462 0.79 SPHK2 (0.67) RAB9ANPC1ALDH1A1LMNAMAPK1
SCHEMBL19033692 0.77 SPHK1 (0.72) RAB9ANPC1ALDH1A1LMNAHPGD
SCHEMBL22280284 0.76 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1LMNAMAPK1
Hydrochloric Acid SCHEMBL22265570 0.75 SPHK1 (0.69) SPHK2SPHK1
SCHEMBL22280465 0.73 RAB9A (0.60) RAB9ANPC1ALDH1A1LMNAMAPK1
SCHEMBL22280439 0.73 RAB9A (0.60) RAB9ANPC1ALDH1A1LMNAMAPK1
SCHEMBL22280297 0.72 MAPK1 (0.64) RAB9ANPC1ALDH1A1LMNAMAPK1
SCHEMBL22280266 0.72 MAPK1 (0.64) RAB9ANPC1ALDH1A1LMNAMAPK1
SCHEMBL22280458 0.72 ALDH1A1 (0.54) RAB9ANPC1ALDH1A1LMNAMAPK1
SCHEMBL22280454 0.72 ALDH1A1 (0.54) RAB9ANPC1ALDH1A1LMNAMAPK1

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