SCHEMBL30135541

SCHEMBL30135541

O=C(O)c1ccnc2cc(Br)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.50
LMNA P02545 1/20 0.49
ALK Q9UM73 1/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GLA P06280 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 3/20 0.44
NPC1 O15118 1/20 0.43
PREP P48147 1/20 0.43
SORT1 Q99523 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ESR1 P03372 1/20 0.43
PLA2G1B P04054 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL7374970 1.00 SLC22A12 (0.50) SLC22A12LMNAALKKDM4EALDH1A1
SCHEMBL7372580 0.91 SLC22A12 (0.44) SLC22A12LMNAALKKDM4EALDH1A1
SCHEMBL7367248 0.86 LMNA (0.60) SLC22A12LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL7664986 0.81 GAA (0.51) SLC22A12LMNAALKKDM4EALDH1A1
SCHEMBL30717956 0.81 L3MBTL1 (0.51) SLC22A12LMNAALKKDM4EALDH1A1
SCHEMBL1998421 0.81 L3MBTL1 (0.51) SLC22A12LMNAALKKDM4EALDH1A1
SCHEMBL29996665 0.81 LMNA (0.50) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL2748318 0.81 LMNA (0.50) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL2810092 0.81 LMNA (0.50) LMNAKDM4EALDH1A1NPC1L3MBTL1
SCHEMBL26965980 0.79 PREP (0.57) SLC22A12LMNAALKKDM4EPREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118978509-A FAP receptor-targeted PET tracer and preparation method thereof 浙江大学 2024-11-19 CN claimed
CN-118978509-A FAP receptor-targeted PET tracer and preparation method thereof 浙江大学 2024-11-19 CN disclosed
EP-4373529-A1 FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND USE THEREOF 3B Pharmaceuticals GmbH (DE) 2024-05-29 EP disclosed
WO-2023002045-A1 FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2023-01-26 WO disclosed