SCHEMBL22280480

SCHEMBL22280480

CCCc1nc(-c2ccc(C=O)cc2)no1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
HTT P42858 1/20 0.64
HTR1A P08908 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
MAPT P10636 1/20 0.50
NAMPT P43490 1/20 0.48
TP53 P04637 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
MITF O75030 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
ATM Q13315 2/20 0.46
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
TSHR P16473 1/20 0.46
SIRT2 Q8IXJ6 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL19287107 0.89 S1PR2 (0.56) SMN1; SMN2RAB9ANPC1HTTATM
SCHEMBL24386291 0.85 SIRT2 (0.55) SMN1; SMN2RAB9ANPC1HTTTP53
SCHEMBL5378065 0.81 S1PR1 (0.58) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL16975850 0.81 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL28930115 0.81 TSHR (0.49) SMN1; SMN2RAB9ANPC1HTTHTR1A
SCHEMBL10914161 0.80 RAB9A (0.69) SMN1; SMN2RAB9ANPC1HTTHTR1A
SCHEMBL15632850 0.79 L3MBTL1 (0.66) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL15633723 0.79 L3MBTL1 (0.70) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL14288613 0.79 RAB9A (0.70) SMN1; SMN2RAB9ANPC1HTTHTR1A
SCHEMBL19131259 0.79 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ANPC1HTTHTR1A

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