SCHEMBL29430352

SCHEMBL29430352

C[C@H](Nc1ccccc1Br)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
ANPEP P15144 1/20 0.44
EGFR P00533 1/20 0.42
ALDH1A1 P00352 3/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL1983999 1.00 LMNA (0.47) LMNAKMT2AHTTRAB9AMEN1
SCHEMBL3381057 1.00 LMNA (0.47) LMNAKMT2AHTTRAB9AMEN1
Hydrochloric Acid SCHEMBL28022283 0.98 LMNA (0.46) LMNAKMT2AHTTRAB9AMEN1
SCHEMBL28266875 0.84 L3MBTL1 (0.46) LMNAKMT2AHTTRAB9AMEN1
SCHEMBL28581260 0.83 RXFP1 (0.45) LMNAKMT2AMEN1L3MBTL1ATM
SCHEMBL3380718 0.83 CXCL8 (0.39) LMNAKMT2AHTTRAB9AMEN1
SCHEMBL5323369 0.79 HPGD (0.49) LMNAKMT2AHTTRAB9AMEN1
SCHEMBL7200135 0.79 RAB9A (0.52) LMNAKMT2AHTTRAB9AMEN1
SCHEMBL5062929 0.79 RAB9A (0.52) LMNAKMT2AHTTRAB9AMEN1
SCHEMBL3078752 0.79 RAB9A (0.52) LMNAKMT2AHTTRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966226-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF Bayer Aktiengesellschaft (DE) 2022-03-16 EP disclosed