SCHEMBL22280647

SCHEMBL22280647

CC[C@H](C)Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)no1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.53
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLAT P00750 1/20 0.39
SCN5A Q14524 2/20 0.39
SCN10A Q9Y5Y9 2/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
S1PR3 Q99500 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL12267064 0.76 S1PR1 (0.66) S1PR1PLATS1PR3TP53
SCHEMBL22280564 0.71 S1PR1 (0.47) S1PR1PLATNPC1RAB9ATSHR
SCHEMBL30935604 0.71 SMN1; SMN2 (0.42) S1PR1SMN1; SMN2NPSR1TDP1SCN5A
SCHEMBL13416797 0.69 S1PR1 (1.00) S1PR1NPSR1S1PR3TP53MAPT
SCHEMBL14330924 0.68 S1PR1 (1.00) S1PR1S1PR3NPC1RAB9A
SCHEMBL13416324 0.68 S1PR1 (0.73) S1PR1S1PR3NPC1RAB9A
SCHEMBL19472922 0.68 NPC1 (0.60) S1PR1SMN1; SMN2PLATNPC1HTT
SCHEMBL22280329 0.68 SMN1; SMN2 (0.60) SMN1; SMN2NPSR1TDP1SCN5ASCN10A
SCHEMBL16202099 0.68 S1PR1 (0.55) S1PR1SMN1; SMN2TDP1S1PR3TP53
SCHEMBL30935486 0.68 SCN5A (0.44) S1PR1SMN1; SMN2NPSR1TDP1SCN5A

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