SCHEMBL22280441

SCHEMBL22280441

Cc1ccc(-c2noc(C3CCCCN(C(=N)N)C3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
LMNA P02545 3/20 0.60
HTT P42858 3/20 0.60
MAPK1 P28482 2/20 0.60
ALDH1A1 P00352 2/20 0.60
TSHR P16473 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 1/20 0.60
ALOX15 P16050 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MAPT P10636 1/20 0.58
SPHK2 Q9NRA0 2/20 0.55
SPHK1 Q9NYA1 1/20 0.55
GRM5 P41594 2/20 0.53
CLPP Q16740 1/20 0.53
HSD11B1 P28845 7/20 0.53

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
SCHEMBL22280297 0.97 MAPK1 (0.64) RAB9ANPC1LMNAHTTMAPK1
SCHEMBL22280266 0.97 MAPK1 (0.64) RAB9ANPC1LMNAHTTMAPK1
SCHEMBL22280439 0.93 RAB9A (0.60) RAB9ANPC1LMNAHTTMAPK1
SCHEMBL22280465 0.93 RAB9A (0.60) RAB9ANPC1LMNAHTTMAPK1
SCHEMBL22280462 0.88 SPHK2 (0.67) RAB9ANPC1LMNAHTTMAPK1
SCHEMBL22280622 0.81 HSD11B1 (0.63) SPHK2SPHK1GRM5HSD11B1
SCHEMBL22280479 0.80 MAPK1 (0.49) RAB9ANPC1LMNAHTTMAPK1
SCHEMBL14433504 0.79 HSD11B1 (0.80) RAB9ALMNAHTTMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL22265404 0.79 SPHK2 (0.82) HTTSPHK2SPHK1
Hydrochloric Acid SCHEMBL22265354 0.79 SPHK2 (0.82) HTTSPHK2SPHK1

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