SCHEMBL30944368

SCHEMBL30944368

O=C(Nc1nc2c(F)cc(F)cc2s1)C1CC2CCCC(C2)C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.76
▸ NPC1 O15118 8/20 0.76
▸ MAPT P10636 6/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CHKA P35790 1/20 0.50
▸ AGTR1 P30556 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ POLB P06746 3/20 0.48
▸ PKM P14618 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ GAA P10253 3/20 0.46
▸ TNF P01375 1/20 0.45
▸ CRHBP P24387 1/20 0.45

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
SCHEMBL30944331 0.86 MAPT (0.55) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL28529297 0.85 RAB9A (0.88) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL30944411 0.85 RAB9A (0.88) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL28522078 0.85 RAB9A (0.88) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL30944422 0.85 RAB9A (0.88) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL24071962 0.85 RAB9A (0.88) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL30944350 0.85 RAB9A (0.88) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL31419754 0.84 RAB9A (0.72) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL30944356 0.84 RAB9A (0.72) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL24071576 0.82 RAB9A (0.85) RAB9ANPC1MAPTALDH1A1MEN1

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-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 — — CN claimed
CN-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 — — CN disclosed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 — — CN disclosed
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