SCHEMBL29620947

SCHEMBL29620947

COc1ccc(COc2cc(Br)ncc2OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 5/20 0.49
NTRK1 P04629 1/20 0.49
NTRK3 Q16288 1/20 0.49
NTRK2 Q16620 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
APP P05067 5/20 0.45
MAOB P27338 2/20 0.44
ABCB1 P08183 2/20 0.43
KIT P10721 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR5 P51681 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
LRRK2 Q5S007 1/20 0.42

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
SCHEMBL22925707 1.00 CSF1R (0.49) CSF1RNTRK1NTRK3NTRK2NPC1
SCHEMBL22969739 0.85 NPC1 (0.46) CSF1RNTRK1NTRK3NTRK2NPC1
SCHEMBL27107675 0.85 NPC1 (0.46) CSF1RNTRK1NTRK3NTRK2NPC1
SCHEMBL22925872 0.82 MAOB (0.50) CSF1RNPC1RAB9AAPPMAOB
SCHEMBL29620984 0.82 MAOB (0.50) CSF1RNPC1RAB9AAPPMAOB
SCHEMBL9366721 0.78 NPC1 (0.47) CSF1RNTRK1NTRK3NTRK2NPC1
SCHEMBL15633170 0.78 APP (0.54) NPC1RAB9AAPPMAOBSMN1; SMN2
SCHEMBL23663289 0.77 ABCB1 (0.49) NPC1RAB9AMAOBABCB1SMN1; SMN2
SCHEMBL29965423 0.77 ABCB1 (0.49) NPC1RAB9AMAOBABCB1SMN1; SMN2
SCHEMBL25180595 0.76 CCR5 (0.57) CSF1RNTRK1NTRK3NTRK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed