SCHEMBL21376928

SCHEMBL21376928

O=C(Nc1ccncc1)c1cccc(SN2CCc3ccccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
RAB9A P51151 2/20 0.53
NR2F2 P24468 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NT5E P21589 1/20 0.47
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KCNK3 O14649 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 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
SCHEMBL21376803 0.82 RXFP1 (0.56) L3MBTL1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL21910111 0.81 CASP3 (0.45) L3MBTL1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL21376787 0.79 AKR1C3 (0.53) RAB9ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL21376581 0.77 ADORA3 (0.57) L3MBTL1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL665055 0.76 L3MBTL1 (1.00) L3MBTL1RAB9ANR2F2SMN1; SMN2ALDH1A1
SCHEMBL21376808 0.75 RAB9A (0.54) RAB9ASMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL21909808 0.75 MAPT (0.58) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL21376790 0.75 MEN1 (0.38) L3MBTL1SMN1; SMN2ALDH1A1TP53MAPT
SCHEMBL21376788 0.73 AKR1C3 (0.54) SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL7096462 0.71 NT5E (0.68) L3MBTL1RAB9ASMN1; SMN2NT5EJAK2

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
EP-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 EP disclosed