SCHEMBL25354186

SCHEMBL25354186

CN(c1ccc(F)cc1)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES1 P23141 2/20 0.40
CES2 O00748 1/20 0.40
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ACHE P22303 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
MPO P05164 1/20 0.33
CTSL P07711 1/20 0.33
AOC3 Q16853 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL14114972 0.87 CYP2A6 (0.50) APPMAPTLMNAMAPK1CES1
SCHEMBL13338132 0.87 APP (0.52) APPMAPTMEN1MAPK1KMT2A
Cyclopropane SCHEMBL7686540 0.80 APP (0.46) APPCES1ALDH1A1ACHETAAR1
SCHEMBL12215526 0.80 SMN1; SMN2 (0.43) APPMAPTMEN1LMNAMAPK1
SCHEMBL18381153 0.80 SMN1; SMN2 (0.43) APPMAPTMEN1LMNAMAPK1
SCHEMBL7026005 0.79
SCHEMBL1622 0.79
SCHEMBL29525203 0.79
SCHEMBL20800882 0.78 ACHE (0.65) APPMAPTMEN1KMT2ACES1
SCHEMBL307380 0.78 CES1 (0.49) APPMEN1LMNAMAPK1KMT2A

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
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed