SCHEMBL23905617

SCHEMBL23905617

COc1cc(C(C)=O)cc2cc(C)nnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38
CRHR1 P34998 1/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
ELANE P08246 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGDS O60760 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL23904745 0.88 CA12 (0.50) LMNAMAPK1POLBF2PLAU
SCHEMBL23905572 0.86 KDM4E (0.47) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL30007169 0.86 TSHR (0.45) ALDH1A1MAPK1POLBF2PLAU
SCHEMBL23904746 0.84 HPGDS (0.51) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL23905792 0.82 POLB (0.44) LMNAALDH1A1POLBF2PLAU
SCHEMBL23904867 0.80 MEN1 (0.48) LMNAALDH1A1MAPK1POLBMEN1
SCHEMBL23958791 0.78 KMT2A (0.52) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL23930184 0.78 CA12 (0.46) LMNAMAPK1KMT2ATSHRCA12
SCHEMBL23930093 0.78 CA12 (0.39) POLBF2PLAUKLKB1ELANE
SCHEMBL30007379 0.78 CA12 (0.39) POLBF2PLAUKLKB1ELANE

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed