SCHEMBL29801372

SCHEMBL29801372

Nc1nc2cc(F)c(F)cc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.60
GFER P55789 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
ALDH1A1 P00352 3/20 0.59
CYP3A4 P08684 3/20 0.59
TP53 P04637 2/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 3/20 0.55
RAB9A P51151 5/20 0.50
SCN4A P35499 3/20 0.50
GAA P10253 3/20 0.50
MAPT P10636 1/20 0.50
EPHX2 P34913 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DRD2 P14416 2/20 0.49
NPC1 O15118 4/20 0.46
CYP1A2 P05177 2/20 0.46
PKM P14618 2/20 0.46
HSD17B10 Q99714 2/20 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
SCHEMBL210148 1.00 AXL (0.60) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL360218 0.84 AXL (0.53) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL3104846 0.84 GAA (0.53) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1638626 0.84 AXL (0.53) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL30002611 0.84 SMN1; SMN2 (0.72) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL4071678 0.84 AXL (0.53) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1829710 0.84 AXL (0.53) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL19709634 0.84 AXL (0.53) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL2911354 0.84 SMN1; SMN2 (0.72) AXLGFERSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9885168 0.84 SMN1; SMN2 (0.71) AXLGFERSMN1; SMN2ALDH1A1CYP3A4

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
EP-3758697-B1 NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES CRESTONE INC (US) 2024-10-16 EP claimed
CN-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 CN claimed
CN-109535155-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2022-07-12 CN disclosed