SCHEMBL28535148

SCHEMBL28535148

O=C(Nc1nc2c(F)c(F)c(F)cc2s1)C1CCCCCC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.63
▸ NPC1 O15118 11/20 0.63
▸ KMT2A Q03164 5/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ MAOA P21397 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ GFER P55789 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CLK1 P49759 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL30944397 1.00 RAB9A (0.63) RAB9ANPC1KMT2AMEN1MAOA
SCHEMBL28529049 1.00 RAB9A (0.63) RAB9ANPC1KMT2AMEN1MAOA
SCHEMBL30944380 1.00 RAB9A (0.63) RAB9ANPC1KMT2AMEN1MAOA
SCHEMBL30944331 0.85 MAPT (0.55) RAB9ANPC1KMT2AMEN1MAOA
SCHEMBL24071962 0.85 RAB9A (0.88) RAB9ANPC1KMT2AMEN1MAOA
SCHEMBL30944422 0.85 RAB9A (0.88) RAB9ANPC1KMT2AMEN1MAOA
SCHEMBL28529297 0.85 RAB9A (0.88) RAB9ANPC1KMT2AMEN1MAOA
SCHEMBL30944350 0.85 RAB9A (0.88) RAB9ANPC1KMT2AMEN1MAOA
SCHEMBL30944411 0.85 RAB9A (0.88) RAB9ANPC1KMT2AMEN1MAOA
SCHEMBL28522078 0.85 RAB9A (0.88) RAB9ANPC1KMT2AMEN1MAOA

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-112423746-A Novel anti-mycobacterial heterocyclic amides 克莱斯通公司 2021-02-26 — — CN claimed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 — — CN disclosed
CN-112423746-A Novel anti-mycobacterial heterocyclic amides 克莱斯通公司 2021-02-26 — — CN disclosed
Send feedback