SCHEMBL8795019

SCHEMBL8795019

CNc1nc(Cl)nc(N(C(=O)O)c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPSR1 Q6W5P4 2/20 0.37
POLB P06746 3/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
CYP1A2 P05177 1/20 0.35
PDE4A P27815 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
CACNA1B Q00975 2/20 0.34

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
SCHEMBL30568850 0.80 TDP1 (0.68) LMNAALDH1A1TDP1NPSR1POLB
SCHEMBL8795091 0.78 ALDH1A1 (0.44) LMNAALDH1A1TDP1NPSR1KMT2A
SCHEMBL8795729 0.76 ALDH1A1 (0.38) ALDH1A1NPSR1POLBKMT2AMAPT
SCHEMBL9004420 0.75 MAPT (0.49) LMNAALDH1A1TDP1NPSR1KMT2A
SCHEMBL8795437 0.74 ALDH1A1 (0.40) LMNAALDH1A1TDP1NPSR1POLB
SCHEMBL11879865 0.72 ALDH1A1 (0.55) LMNAALDH1A1TDP1NPSR1POLB
SCHEMBL8794905 0.72 TSHR (0.49) ALDH1A1TDP1NPSR1POLBKMT2A
SCHEMBL8795503 0.71 LMNA (0.45) LMNAALDH1A1NPSR1POLBKMT2A
SCHEMBL1111522 0.70 POLB (0.47) ALDH1A1NPSR1POLBKMT2AMAPT
Dimethylamine SCHEMBL10653757 0.70 NPSR1 (0.58) LMNAALDH1A1TDP1NPSR1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586405-B1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF LILLY GMBH (DE) 1997-09-10 EP disclosed
EP-0586405-A1 NOVEL 2H-BENZO b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS. BEIERSDORF LILLY GMBH (DE) 1994-03-16 EP disclosed
WO-1992020671-A1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF-LILLY GMBH (DE) 1992-11-26 WO disclosed