SCHEMBL8520300

SCHEMBL8520300

CCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3ncccc3n2C(C)=O)cc1.CCN(CC)CCN(CCN(CC)CC)c1ccccc1-c1nc2cnccc2n1C.CCN(CC)CCN(CCN(CC)CC)c1ccccc1-c1nc2cnccc2n1C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 4/20 0.48
TP53 P04637 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.48
ATM Q13315 3/20 0.38
CASP1 P29466 2/20 0.34
RPS6KA5 O75582 1/20 0.34
DRD3 P35462 8/20 0.33
DRD2 P14416 7/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 2/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL8520141 0.84 NPC1 (0.67) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7155951 0.83 NPC1 (0.40) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7156031 0.81 MAPT (0.58) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7156642 0.81 KDM4E (0.38) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7159519 0.81 KMT2A (0.40) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7160121 0.80 NPC1 (0.53) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7157953 0.77 PKM (0.39) NPC1SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL7159607 0.77 NPC1 (0.80) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7160069 0.76 KDM4E (0.37) NPC1MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL8518781 0.76 NPC1 (0.52) NPC1MAPTSMN1; SMN2KDM4EALDH1A1

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
EP-0927167-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998006703-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO disclosed