SCHEMBL30212958

SCHEMBL30212958

Cn1ncc(-c2cccc(N)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.47
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
MAP4K4 O95819 5/20 0.44
PSIP1 O75475 1/20 0.43
AXL P30530 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAOA P21397 1/20 0.42
GLA P06280 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL24028067 1.00 METAP2 (0.47) METAP2TSHRRECQLNPC1RAB9A
SCHEMBL2658449 0.79 IDO1 (0.47) METAP2NPC1RAB9AMEN1ALDH1A1
SCHEMBL11730368 0.78 KEAP1 (0.55) METAP2TSHRNPC1RAB9AMEN1
SCHEMBL31402293 0.77 DYRK1A (0.44) ALDH1A1AXLDYRK3CCNT1CDK9
SCHEMBL29796022 0.75 KEAP1 (0.61) METAP2TSHRRECQLNPC1RAB9A
SCHEMBL1532168 0.75 KEAP1 (0.61) METAP2TSHRRECQLNPC1RAB9A
SCHEMBL3346256 0.72 TSHR (0.49) METAP2TSHRRECQLNPC1RAB9A
SCHEMBL8402151 0.71 CYP2A6 (0.53) METAP2ALDH1A1LMNAKDM4EMAPT
SCHEMBL24270330 0.71 NPC1 (0.65) METAP2TSHRRECQLNPC1RAB9A
SCHEMBL30165348 0.71 NPC1 (0.65) METAP2TSHRRECQLNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118256096-A High-permeability aging-resistant fog seal material and preparation method thereof 太行城乡建设集团有限公司 2024-06-28 CN claimed
CN-118256096-A High-permeability aging-resistant fog seal material and preparation method thereof 太行城乡建设集团有限公司 2024-06-28 CN disclosed
CN-118256096-A High-permeability aging-resistant fog seal material and preparation method thereof 太行城乡建设集团有限公司 2024-06-28 CN disclosed
CN-115697974-A Imidazole 3-oxide derivative based ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2023-02-03 CN disclosed