SCHEMBL28745833

SCHEMBL28745833

Cc1ccc(N(C)N)nn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ APLNR P35414 1/20 0.35
▸ NPC1 O15118 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.31

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
SCHEMBL2629425 0.80 RAB9A (0.48) POLBKMT2AAPLNRNPC1USP2
SCHEMBL13314027 0.78 POLB (0.39) POLBKMT2AAPLNRNPC1USP2
SCHEMBL2218343 0.74 ALDH1A1 (0.40) KMT2ANPC1USP2TP53PKM
SCHEMBL29549138 0.72 — —
SCHEMBL310954 0.72 — —
SCHEMBL11631335 0.69 NPC1 (0.72) KMT2ANPC1USP2TP53PKM
SCHEMBL16132008 0.67 HRH3 (0.35) POLBKMT2ASMN1; SMN2
SCHEMBL20038399 0.67 HCAR3 (0.42) POLBKMT2AAPLNR
SCHEMBL11636073 0.66 RAB9A (0.49) KMT2ANPC1USP2TP53PKM
SCHEMBL22912926 0.66 DRD2 (0.32) NPC1USP2TP53PKMRAB9A

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-114540846-B Synthesis method of 1,2, 4-triazolo six-membered nitrogen heterocycle-3-amine 五邑大学 2023-09-19 — — CN disclosed
CN-114540846-A Synthetic method of 1,2, 4-triazolo hexa-nitrogen heterocyclic-3-amine 五邑大学 2022-05-27 — — CN disclosed
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