SCHEMBL8820492

SCHEMBL8820492

S=C(C1c2ccccc2Oc2ccccc21)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ TSHR P16473 4/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ATM Q13315 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL8819203 0.80 TSHR (0.71) MAOAMAOBTSHRNPSR1LMNA
SCHEMBL8819880 0.79 TSHR (0.69) TSHRNPSR1LMNATP53ATM
SCHEMBL8820505 0.76 HDAC3 (0.44) MAOAMAOBTSHRNPSR1LMNA
SCHEMBL28984773 0.74 ATM (0.59) MAOAMAOBTSHRNPSR1LMNA
SCHEMBL30416067 0.74 ATM (0.59) MAOAMAOBTSHRNPSR1LMNA
SCHEMBL8815562 0.71 ATM (0.55) MAOAMAOBTSHRNPSR1LMNA
SCHEMBL27851767 0.69 TSHR (0.59) MAOAMAOBTSHRNPSR1LMNA
SCHEMBL11861840 0.68 TSHR (0.61) MAOAMAOBTSHRNPSR1LMNA
Xanthene Carboxylic Acid SCHEMBL2807858 0.68 ATM (0.61) MAOAMAOBTSHRNPSR1LMNA
Hydrochloric Acid SCHEMBL27833742 0.68 TSHR (0.57) MAOAMAOBTSHRNPSR1LMNA

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-1997046549-A1 ANTI-NEURODEGENERATIVELY EFFECTIVE XANTHENE DERIVATIVES NOVARTIS AG (CH) 1997-12-11 — — WO claimed
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