SCHEMBL25249657

SCHEMBL25249657

O=C(Oc1cc(Br)ccc1F)N1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.59
MAPT P10636 5/20 0.59
LMNA P02545 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ATM Q13315 1/20 0.59
ALDH1A1 P00352 7/20 0.50
HPGD P15428 5/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
HTT P42858 2/20 0.49
NCEH1 Q6PIU2 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 2/20 0.47

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
SCHEMBL27793337 0.88 SMN1; SMN2 (0.59) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL31264704 0.87 SMN1; SMN2 (0.57) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL25286316 0.86 NPC1 (0.50) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL31264745 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL28788178 0.79 RECQL (0.63) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL27814987 0.79 ALDH1A1 (0.65) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL31264719 0.78 SMN1; SMN2 (0.63) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL22372601 0.77 USP30 (0.62) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL31264796 0.76 SMN1; SMN2 (0.65) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL830131 0.75 SMN1; SMN2 (0.72) SMN1; SMN2MAPTLMNANPC1RAB9A

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-4204415-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2023-07-05 EP disclosed