SCHEMBL8520141

SCHEMBL8520141

CCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3cnccc3n2C(C)=O)cc1.CCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3cnccc3n2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
TP53 P04637 3/20 0.67
MAPT P10636 3/20 0.67
RAB9A P51151 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 2/20 0.67
HPGD P15428 2/20 0.67
HSD17B10 Q99714 2/20 0.67
ATM Q13315 1/20 0.48
CASP1 P29466 1/20 0.39
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RPS6KA5 O75582 4/20 0.36
POLB P06746 1/20 0.36
FASN P49327 2/20 0.35

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
SCHEMBL7156031 0.95 MAPT (0.58) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL7159607 0.92 NPC1 (0.80) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL8518781 0.89 NPC1 (0.52) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL7160902 0.86 ALDH1A1 (0.49) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL8520137 0.85 NPC1 (0.56) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL8520300 0.84 NPC1 (0.48) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL8520036 0.84 KDM4E (0.48) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL7154096 0.83 NPC1 (0.65) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL7159278 0.83 NPC1 (0.43) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL7160138 0.81 ALDH1A1 (0.46) NPC1TP53MAPTRAB9ASMN1; SMN2

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