SCHEMBL8084819

SCHEMBL8084819

CC(C)CN1CCN(c2ccc(C(=O)CSc3ccnc4ccccc34)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
RAD52 P43351 2/20 0.42
MITF O75030 1/20 0.42
NR4A1 P22736 1/20 0.41
ESR2 Q92731 1/20 0.41
KMT2A Q03164 3/20 0.41
KCNH2 Q12809 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR7 P34969 1/20 0.38
ABCB1 P08183 2/20 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
SCHEMBL8088254 0.87 ADRA2A (0.51) ALDH1A1SMN1; SMN2KDM4ENPSR1LMNA
SCHEMBL8084676 0.85 CCNC (0.46) ALDH1A1SMN1; SMN2KDM4ENPSR1LMNA
SCHEMBL8084820 0.85 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4ENPSR1LMNA
SCHEMBL8084826 0.85 NPC1 (0.50) ALDH1A1SMN1; SMN2KDM4ENPSR1LMNA
SCHEMBL8089852 0.85 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KDM4ENPSR1LMNA
SCHEMBL8084897 0.84 LMNA (0.42) ALDH1A1SMN1; SMN2KDM4ENPSR1LMNA
SCHEMBL8076727 0.84 MAPT (0.51) ALDH1A1SMN1; SMN2NPSR1LMNAKMT2A
SCHEMBL8088295 0.83 MAPT (0.43) ALDH1A1SMN1; SMN2KDM4ENPSR1LMNA
SCHEMBL8089922 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4ENPSR1LMNA
SCHEMBL8076752 0.83 MEN1 (0.42) ALDH1A1SMN1; SMN2KDM4ENPSR1LMNA

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-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed