SCHEMBL30944402

SCHEMBL30944402

O=C(Nc1nc2c(F)c(F)c(F)cc2s1)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 3/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ ABL1 P00519 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ AGTR1 P30556 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CNR1 P21554 1/20 0.36

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
SCHEMBL28527380 1.00 MAPT (0.57) MAPTLMNARAB9ANPC1MEN1
SCHEMBL28529424 0.85 RAB9A (0.67) MAPTLMNARAB9ANPC1MEN1
SCHEMBL30944294 0.85 RAB9A (0.67) MAPTLMNARAB9ANPC1MEN1
SCHEMBL30944331 0.81 MAPT (0.55) MAPTLMNARAB9ANPC1MEN1
SCHEMBL30944316 0.80 LMNA (0.70) MAPTLMNARAB9ANPC1MEN1
SCHEMBL30944397 0.78 RAB9A (0.63) MAPTLMNARAB9ANPC1MEN1
SCHEMBL28535148 0.78 RAB9A (0.63) MAPTLMNARAB9ANPC1MEN1
SCHEMBL28529049 0.78 RAB9A (0.63) MAPTLMNARAB9ANPC1MEN1
SCHEMBL30944380 0.78 RAB9A (0.63) MAPTLMNARAB9ANPC1MEN1
SCHEMBL30944412 0.74 NPC1 (0.43) MAPTRAB9ANPC1MEN1KMT2A

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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