SCHEMBL8629030

SCHEMBL8629030

CCC1Oc2cccc(Oc3cccc(CCN)c3)c2N(Cc2cc(Cl)cc(Cl)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
MAPK1 P28482 3/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
TAAR1 Q96RJ0 2/20 0.34
CHRM5 P08912 1/20 0.33
ACHE P22303 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
SCHEMBL8627942 0.95 TSHR (0.43) TSHRMAPK1LMNAUSP2ATM
SCHEMBL8632930 0.88 TSHR (0.45) TSHRMAPK1LMNAUSP2ATM
SCHEMBL8631498 0.88 TSHR (0.43) TSHRMAPK1LMNAUSP2ATM
SCHEMBL8632487 0.83 TSHR (0.41) TSHRMAPK1LMNAUSP2ATM
SCHEMBL8635431 0.78 TP53 (0.43) TSHRMAPK1LMNAUSP2ATM
SCHEMBL8632952 0.78 SIRT1 (0.41) TSHRMAPK1LMNAALDH1A1GAA
SCHEMBL8628591 0.77 LOXL2 (0.41) TSHRMAPK1LMNAUSP2ATM
Hydrochloric Acid SCHEMBL8632521 0.76 LMNA (0.38) TSHRMAPK1LMNAUSP2ATM
SCHEMBL8554130 0.75 TSHR (0.43) TSHRALDH1A1
SCHEMBL8867663 0.71 TSHR (0.41) TSHRMAPK1LMNAUSP2ATM

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
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed