SCHEMBL30944331

SCHEMBL30944331

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ RAB9A P51151 7/20 0.55
▸ NPC1 O15118 7/20 0.55
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ABL1 P00519 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL30944368 0.86 RAB9A (0.76) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL30944397 0.85 RAB9A (0.63) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL28535148 0.85 RAB9A (0.63) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL30944380 0.85 RAB9A (0.63) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL28529049 0.85 RAB9A (0.63) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL28527380 0.81 MAPT (0.57) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL30944402 0.81 MAPT (0.57) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL30944316 0.78 LMNA (0.70) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL28519838 0.73 RAB9A (0.48) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL30944371 0.72 CYP2C19 (0.61) MAPTLMNARAB9ANPC1KMT2A

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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