SCHEMBL30944403

SCHEMBL30944403

O=C(Nc1nc2ccc(OC(F)F)cc2s1)C1CCCCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.67
MAOB P27338 1/20 0.67
NPC1 O15118 10/20 0.66
RAB9A P51151 9/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
GFER P55789 1/20 0.66
ALDH1A1 P00352 2/20 0.64
CLK1 P49759 1/20 0.61
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
USP2 O75604 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
MAPT P10636 2/20 0.56

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
SCHEMBL28530651 1.00 MAOA (0.67) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL28519839 1.00 MAOA (0.67) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL30944367 1.00 MAOA (0.67) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL28908448 0.88 DYRK1A (0.68) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL28525158 0.88 DYRK1A (0.68) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL30944330 0.88 DYRK1A (0.68) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL30944348 0.88 DYRK1A (0.68) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL30944381 0.87 MAOA (0.51) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL28520783 0.87 MAOA (0.51) MAOAMAOBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL18154343 0.87 DYRK1A (0.67) MAOAMAOBNPC1RAB9ASMN1; 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 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