SCHEMBL24460628

SCHEMBL24460628

Fc1ccc(C2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ PDE2A O00408 3/20 0.50
▸ CNR2 P34972 1/20 0.50
▸ JAK2 O60674 1/20 0.47
▸ JAK1 P23458 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ BCHE P06276 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ BACE1 P56817 2/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ CHKA P35790 1/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ TACR1 P25103 2/20 0.42
▸ TEAD1 P28347 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 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
SCHEMBL24460625 0.86 KDM4E (0.56) ALDH1A1KDM4EPDE2ACNR2JAK2
SCHEMBL24460661 0.86 KDM4E (0.56) ALDH1A1KDM4EPDE2ACNR2JAK2
SCHEMBL24460697 0.82 PDE2A (0.52) ALDH1A1KDM4EPDE2ACNR2DRD4
SCHEMBL24460749 0.82 CNR2 (0.70) ALDH1A1KDM4EPDE2ACNR2POLB
SCHEMBL24460956 0.80 CNR2 (0.53) KDM4EPDE2ACNR2DRD4TMEM97
SCHEMBL24460730 0.80 CNR2 (0.52) ALDH1A1KDM4EPDE2ACNR2JAK2
SCHEMBL11403534 0.77 CNR2 (0.60) ALDH1A1KDM4ECNR2DRD4TEAD1
Hydrochloric Acid SCHEMBL11398713 0.76 CNR2 (0.58) ALDH1A1KDM4ECNR2DRD4TEAD1
SCHEMBL24460681 0.75 KDM4E (0.62) ALDH1A1KDM4EPDE2ACNR2POLB
SCHEMBL30646793 0.74 S1PR5 (0.41) ALDH1A1KDM4ESIGMAR1

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-2022109209-A1 SMALL MOLECULE COMPOUNDS AND COMPOSITIONS TELO THERAPEUTICS, INC. (US) 2022-05-27 — — WO disclosed
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