SCHEMBL30845792

SCHEMBL30845792

NC(=O)c1cn2cc(N3CCOCC3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PIK3CA P42336 2/20 0.46
MTOR P42345 1/20 0.46
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
PARP1 P09874 1/20 0.43
PIK3R1 P27986 1/20 0.41
GSK3B P49841 1/20 0.40
LRRK2 Q5S007 1/20 0.40
ALDH1A1 P00352 1/20 0.40
JAK2 O60674 1/20 0.40
PIK3CB P42338 1/20 0.40
AKR1C3 P42330 2/20 0.40

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
SCHEMBL21033175 0.88 KDM4E (0.54) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30845773 0.84 HRH4 (0.51) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL19736708 0.81 KDM4E (0.54) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3368805 0.79 RAB9A (0.76) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL27037204 0.76 SLC2A1 (0.45) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL19736936 0.76 MAPT (0.48) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL21396314 0.75 NPC1 (0.53) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL19736940 0.75 PIK3R1 (0.44) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30828891 0.75 METTL3 (0.40) MAPTPIK3CAMTORSYKEGLN1
SCHEMBL8065354 0.75 TGFBR1 (0.50) KDM4ENPC1MAPTRAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN claimed
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN disclosed