SCHEMBL30852828

SCHEMBL30852828

O=C1C(=Cc2cccnc2)CCC1=Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
RAB9A P51151 7/20 0.87
SMN1; SMN2 Q16637 6/20 0.87
HTT P42858 6/20 0.87
ATM Q13315 2/20 0.87
ALDH1A1 P00352 6/20 0.77
KMT2A Q03164 3/20 0.77
MEN1 O00255 2/20 0.77
CYP19A1 P11511 6/20 0.72
MIF P14174 3/20 0.72
PKM P14618 1/20 0.72
LMNA P02545 5/20 0.69
MITF O75030 3/20 0.69
MAPK1 P28482 3/20 0.69
NPC1 O15118 1/20 0.69
NSD2 O96028 1/20 0.69
HSP90AA1 P07900 1/20 0.63
CYP11B1 P15538 3/20 0.61
CYP11B2 P19099 3/20 0.61
CYP1A2 P05177 1/20 0.60

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
SCHEMBL30852868 1.00 MAPT (1.00) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL17899491 0.93 MAPT (1.00) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL27760775 0.86 MAPT (0.75) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL6825322 0.85 CYP19A1 (1.00) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL6825321 0.85 CYP19A1 (1.00) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL10063367 0.84 MAPT (0.73) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL10063364 0.84 MAPT (0.73) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL17899560 0.82 MAPT (1.00) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL14740268 0.82 MAPT (1.00) MAPTRAB9ASMN1; SMN2HTTATM
SCHEMBL29106868 0.82 MAPT (0.69) MAPTRAB9ASMN1; SMN2HTTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117920350-A CO2Heterogeneous catalyst for cycloaddition reaction with epoxide, preparation method and application thereof 嘉兴学院 2024-04-26 CN claimed
CN-117920350-A CO2Heterogeneous catalyst for cycloaddition reaction with epoxide, preparation method and application thereof 嘉兴学院 2024-04-26 CN disclosed
CN-117920350-A CO2Heterogeneous catalyst for cycloaddition reaction with epoxide, preparation method and application thereof 嘉兴学院 2024-04-26 CN disclosed