SCHEMBL9538736

SCHEMBL9538736

NC(=O)c1ccc2nc3ccc(=O)cc-3oc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 16/20 0.66
CYP1A2 P05177 1/20 0.54
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
ALPI P09923 1/20 0.39
MAPT P10636 1/20 0.39
ALPG P10696 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
MAOA P21397 1/20 0.36
CNR1 P21554 1/20 0.36
DRD1 P21728 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL9538200 0.87 APP (0.68) APPCYP1A2MEN1ALDH1A1POLB
SCHEMBL5085776 0.83 APP (0.61) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL9749591 0.81 APP (0.59) APPCYP1A2
SCHEMBL1635563 0.80 APP (0.68) APPCYP1A2KDM4EMEN1ALDH1A1
SCHEMBL8066 0.80 APP (1.00) APPCYP1A2MEN1POLBKMT2A
Ammonia Solution, Strong SCHEMBL29419058 0.78 APP (0.97) APPCYP1A2MEN1POLBKMT2A
SCHEMBL1095367 0.78 APP (0.97) APPCYP1A2MEN1POLBKMT2A
SCHEMBL7113427 0.78 APP (0.97) APPCYP1A2MEN1POLBKMT2A
SCHEMBL29456578 0.78 APP (0.97) APPCYP1A2MEN1POLBKMT2A
Pyridine SCHEMBL8601041 0.77 APP (0.54) APPCYP1A2MEN1ALDH1A1POLB

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-5242805-A Useful in directingcells producing enzymes that hydrolyze the glycoside MOLECULAR PROBES, INC. (US) 1993-09-07 US disclosed
WO-1993004074-A1 LONG WAVELENGTH LIPOPHILIC FLUOROGENIC GLYCOSIDASE SUBSTRATES MOLECULAR PROBES, INC. (US) 1993-03-04 WO disclosed