SCHEMBL5808604

SCHEMBL5808604

Cn1c(CN)[n+](C)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ERAP1 Q9NZ08 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 3/20 0.43
HTT P42858 1/20 0.43
PTPN1 P18031 1/20 0.39
GPR3 P46089 1/20 0.34
ACHE P22303 1/20 0.34
APOBEC3A P31941 3/20 0.34
APOBEC3G Q9HC16 3/20 0.34
PKM P14618 2/20 0.34
RGS12 O14924 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 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
SCHEMBL19102582 0.83 LMNA (0.51) LMNAERAP1KDM4EALDH1A1MAPT
Iodide SCHEMBL31058795 0.81 LMNA (0.50) LMNAERAP1KDM4EALDH1A1MAPT
Water SCHEMBL31058792 0.81 LMNA (0.50) LMNAERAP1KDM4EALDH1A1MAPT
SCHEMBL14838062 0.73 LMNA (0.55) LMNAERAP1KDM4EALDH1A1MAPT
SCHEMBL1049324 0.72 ERAP1 (0.50) LMNAERAP1KDM4EALDH1A1MAPT
SCHEMBL28960268 0.72 LMNA (0.61) LMNAERAP1KDM4EALDH1A1MAPT
SCHEMBL23641666 0.71 ERAP1 (0.49) LMNAERAP1KDM4EALDH1A1MAPT
Water SCHEMBL21823213 0.71 ERAP1 (0.49) LMNAERAP1KDM4EALDH1A1MAPT
Iodide SCHEMBL9134481 0.71 PTPN1 (0.50) LMNAERAP1KDM4EALDH1A1MAPT
SCHEMBL17378548 0.70 ERAP1 (0.49) LMNAERAP1KDM4EALDH1A1MAPT

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
WO-2006102987-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-05 WO claimed
WO-2006102987-A1 AGENTS FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-10-05 WO disclosed