SCHEMBL6593085

SCHEMBL6593085

Cn1cc(C(=O)NN)c2c(F)cccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CHRM1 P11229 3/20 0.41
CNR1 P21554 2/20 0.40
SCN9A Q15858 1/20 0.40
CNR2 P34972 1/20 0.40
MAPT P10636 2/20 0.40
NR4A2 P43354 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX7 Q99572 1/20 0.40
POLB P06746 1/20 0.40
CTSD P07339 1/20 0.40
LMNA P02545 2/20 0.39
MITF O75030 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2439783 0.81 POLB (0.47) ALDH1A1KMT2AMEN1CHRM1CNR1
SCHEMBL4002045 0.79 POLB (0.45) ALDH1A1KMT2AMEN1CHRM1CNR1
SCHEMBL1020294 0.79 P2RX7 (0.51) KMT2ACHRM1P2RX7
SCHEMBL7498303 0.78 POLB (0.41) ALDH1A1KMT2AMEN1CHRM1CNR1
SCHEMBL1020902 0.78 P2RX7 (0.53) KMT2AMEN1CHRM1CNR1P2RX7
SCHEMBL1019257 0.78 P2RX7 (0.53) KMT2AMEN1CHRM1CNR1P2RX7
SCHEMBL1018807 0.76 IL1B (0.52) KMT2ACHRM1CNR1L3MBTL1P2RX7
SCHEMBL1020264 0.76 CHRM1 (0.42) CHRM1P2RX7
SCHEMBL6586386 0.75 NR4A2 (0.64) ALDH1A1KMT2AMAPTNR4A2POLB
SCHEMBL14772079 0.74 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1SCN9ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 US disclosed
EP-1183252-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-03-06 EP disclosed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 WO disclosed