SCHEMBL30296704

SCHEMBL30296704

COC(=O)c1cc(F)cc(Br)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.44
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NOTUM Q6P988 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37

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
SCHEMBL3413587 1.00 SOS1 (0.44) SOS1SLC6A4SLC6A3SMN1; SMN2NPC1
SCHEMBL31055681 0.84 SOS1 (0.49) SOS1SLC6A4SLC6A3SMN1; SMN2NPC1
SCHEMBL19971599 0.84 SOS1 (0.49) SOS1SLC6A4SLC6A3SMN1; SMN2NPC1
SCHEMBL31283849 0.82 SOS1 (0.44) SOS1SLC6A4SLC6A3ALDH1A1NOTUM
SCHEMBL16048883 0.82 SOS1 (0.44) SOS1SLC6A4SLC6A3ALDH1A1NOTUM
SCHEMBL14719381 0.81 SLC6A4 (0.41) SOS1SLC6A4SLC6A3SMN1; SMN2NPC1
SCHEMBL21621554 0.81 SLC6A4 (0.45) SOS1SLC6A4SLC6A3SMN1; SMN2NPC1
SCHEMBL20903073 0.81 XDH (0.49) SOS1SMN1; SMN2ALDH1A1MAPTCA12
SCHEMBL18878112 0.81 CES2 (0.44) SLC6A4SLC6A3SMN1; SMN2NPC1CASP3
SCHEMBL935778 0.81 HSD17B10 (0.49) SOS1SLC6A3ALDH1A1NOTUMMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4402143-A1 SPIROCYCLIC COMPOUNDS Astrazeneca AB (SE) 2024-07-24 EP disclosed
WO-2023036974-A1 SPIROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2023-03-16 WO disclosed