SCHEMBL22280439

SCHEMBL22280439

Cc1ccc(-c2noc([C@H]3CCN(C(=N)N)C3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
SPHK2 Q9NRA0 2/20 0.57
SPHK1 Q9NYA1 1/20 0.57
LMNA P02545 3/20 0.57
HTT P42858 3/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 2/20 0.57
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPT P10636 1/20 0.55
TUBB4A P04350 3/20 0.54
TUBB P07437 3/20 0.54
TUBA3C P0DPH7 3/20 0.54
TUBA1B P68363 3/20 0.54
TUBA4A P68366 3/20 0.54
TUBB4B P68371 3/20 0.54

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
SCHEMBL22280465 1.00 RAB9A (0.60) RAB9ANPC1SPHK2SPHK1LMNA
SCHEMBL22280266 0.94 MAPK1 (0.64) RAB9ANPC1SPHK2SPHK1LMNA
SCHEMBL22280297 0.94 MAPK1 (0.64) RAB9ANPC1SPHK2SPHK1LMNA
SCHEMBL22280441 0.93 RAB9A (0.64) RAB9ANPC1SPHK2SPHK1LMNA
SCHEMBL22280462 0.90 SPHK2 (0.67) RAB9ANPC1SPHK2SPHK1LMNA
SCHEMBL22280622 0.88 HSD11B1 (0.63) SPHK2SPHK1TUBB4ATUBBTUBA3C
SCHEMBL22280479 0.86 MAPK1 (0.49) RAB9ANPC1SPHK2SPHK1LMNA
SCHEMBL16934051 0.82 SPHK2 (0.85) SPHK2SPHK1
SCHEMBL22266151 0.82 SPHK2 (0.85) SPHK2SPHK1
SCHEMBL22280489 0.82 SPHK2 (0.48) RAB9ASPHK2SPHK1LMNAHTT

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