SCHEMBL30358109

SCHEMBL30358109

[2H]c1cc(-c2ccncc2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.65
▸ LMNA P02545 2/20 0.65
▸ NOTUM Q6P988 1/20 0.52
▸ KIF11 P52732 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ APOBEC3A P31941 1/20 0.42
▸ EIF4H Q15056 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ DDAH1 O94760 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ QDPR P09417 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CYP2D6 P10635 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL9728 0.80 MAPT (1.00) MAPTLMNANOTUMKIF11SMN1; SMN2
SCHEMBL30041150 0.79 CYP2A6 (0.62) MAPTLMNANOTUMKIF11SMN1; SMN2
SCHEMBL30500119 0.78 CYP11B2 (0.52) MAPTLMNANOTUMKIF11GAA
Water SCHEMBL1648462 0.77 MAPT (0.92) MAPTLMNANOTUMKIF11SMN1; SMN2
SCHEMBL10000032 0.77 MAPT (0.92) MAPTLMNANOTUMKIF11SMN1; SMN2
Hydrochloric Acid SCHEMBL5548691 0.77 MAPT (0.92) MAPTLMNANOTUMKIF11SMN1; SMN2
SCHEMBL135626 0.77 MAPT (0.92) MAPTLMNANOTUMKIF11SMN1; SMN2
Water SCHEMBL11112402 0.77 MAPT (0.92) MAPTLMNANOTUMKIF11SMN1; SMN2
SCHEMBL9120813 0.77 MAPT (0.92) MAPTLMNANOTUMKIF11SMN1; SMN2
Hydrochloric Acid SCHEMBL3930145 0.77 MAPT (0.92) MAPTLMNANOTUMKIF11SMN1; 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-115873263-B Metal organic framework material and preparation method and application thereof 山东能源集团有限公司 2023-09-15 — — CN disclosed
CN-115873263-A Metal organic framework material and preparation method and application thereof 山东能源集团有限公司 2023-03-31 — — CN disclosed
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