SCHEMBL24547740

SCHEMBL24547740

Nc1nc2cnc(C(=O)N3CCSCC3)cc2c2c1COC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.36
NPC1 O15118 7/20 0.36
HPGD P15428 4/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN9A Q15858 1/20 0.34
ADORA2A P29274 2/20 0.34
CNR2 P34972 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM4 P08173 1/20 0.33
CNR1 P21554 1/20 0.32

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
SCHEMBL24547734 0.89 SMN1; SMN2 (0.45) RAB9ANPC1HPGDALDH1A1KDM4E
SCHEMBL27267989 0.89 CNR1 (0.42) RAB9ANPC1HPGDALDH1A1CNR2
SCHEMBL24547768 0.87 NCF1 (0.36) RAB9ANPC1CNR2SMN1; SMN2KMT2A
SCHEMBL29650940 0.80 KDM4E (0.35) HPGDALDH1A1KDM4EALOX15HSD17B10
SCHEMBL24468603 0.80 KDM4E (0.35) HPGDALDH1A1KDM4EALOX15HSD17B10
SCHEMBL29686097 0.78 KDM4E (0.32) KDM4E
SCHEMBL24468209 0.78 KDM4E (0.32) KDM4E
Hydrochloric Acid SCHEMBL29106338 0.77 KDM4E (0.31) KDM4E
Hydrochloric Acid SCHEMBL29686221 0.77 KDM4E (0.31) KDM4E
SCHEMBL24541157 0.76 CCNC (0.35) SCN9A

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-2022132914-A1 PRMTS INHIBITORS AMGEN INC. (US) 2022-06-23 WO disclosed