SCHEMBL25258769

SCHEMBL25258769

Cc1cc(Cl)ccc1OC(=O)N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 6/20 0.49
TSHR P16473 4/20 0.49
HPGD P15428 3/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 2/20 0.49
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 2/20 0.48
ALOX12 P18054 1/20 0.48
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
CYP1A2 P05177 2/20 0.45

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
SCHEMBL13342914 0.87 SMN1; SMN2 (0.63) SMN1; SMN2LMNATSHRHPGDHTT
SCHEMBL25300556 0.85 HTR3E (0.55) SMN1; SMN2LMNATSHRHPGDMAPK1
SCHEMBL13342918 0.84 CYP1A2 (0.62) SMN1; SMN2LMNATSHRHPGDHTT
SCHEMBL13342919 0.83 RAB9A (0.62) SMN1; SMN2LMNATSHRHPGDNPC1
SCHEMBL22322367 0.81 ALDH1A1 (0.40) TSHRGAANPSR1KMT2AHTR3A
SCHEMBL13342921 0.80 MEN1 (0.53) SMN1; SMN2LMNATSHRHPGDHTT
SCHEMBL652306 0.80 SMN1; SMN2 (0.77) SMN1; SMN2LMNATSHRHPGDHTT
SCHEMBL13342920 0.76 MEN1 (0.72) SMN1; SMN2TSHRHTTMAPK1NPSR1
SCHEMBL27627299 0.76 ALDH1A1 (0.56) SMN1; SMN2LMNANPC1NPSR1MEN1
SCHEMBL13368660 0.75 SMN1; SMN2 (0.45) SMN1; SMN2LMNATSHRHPGDHTT

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
WO-2023125907-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2023-07-06 WO disclosed