SCHEMBL8089838

SCHEMBL8089838

CC(C)(C)CN1CCN(c2ccc(C(=O)CSc3ccnc4ccccc34)cc2Br)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 6/20 0.35
KCNH2 Q12809 2/20 0.35
HTT P42858 4/20 0.34
LMNA P02545 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
ADAM17 P78536 1/20 0.34
PLA2G1B P04054 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8084765 0.86 GBA1 (0.44) ALDH1A1MAPTHTTLMNAMEN1
SCHEMBL8088233 0.85 RAB9A (0.42) ALDH1A1RAB9ANPC1MAPTHTT
SCHEMBL8084820 0.75 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1MAPTKCNH2
SCHEMBL8076752 0.73 MEN1 (0.42) ALDH1A1RAB9ANPC1MAPTHTT
SCHEMBL8084819 0.73 ALDH1A1 (0.43) ALDH1A1MAPTKCNH2LMNAMEN1
SCHEMBL8088254 0.73 ADRA2A (0.51) ALDH1A1RAB9ANPC1MAPTKCNH2
SCHEMBL8084900 0.73 SMN1; SMN2 (0.46) ALDH1A1NPC1MAPTHTTLMNA
SCHEMBL8084739 0.72 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1MAPTHTT
SCHEMBL8084676 0.71 CCNC (0.46) ALDH1A1RAB9ANPC1MAPTLMNA
SCHEMBL8084826 0.71 NPC1 (0.50) ALDH1A1RAB9ANPC1MAPTHTT

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