SCHEMBL3961147

SCHEMBL3961147

O=[N+]([O-])c1c(Cl)nc2ccccc2c1NCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 1/20 0.54
APP P05067 4/20 0.50
EGFR P00533 1/20 0.47
BCHE P06276 3/20 0.46
ACHE P22303 3/20 0.46
ELANE P08246 1/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
POLB P06746 1/20 0.43
GFER P55789 1/20 0.43
PDE5A O76074 1/20 0.43

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
SCHEMBL212307 0.87 EGFR (0.60) MAPTALDH1A1HPGDHTTAPP
SCHEMBL12744367 0.86 EGFR (0.47) MAPTALDH1A1GAAHPGDHTT
SCHEMBL12744387 0.86 POLB (0.58) MAPTALDH1A1GAAHPGDHTT
SCHEMBL1456869 0.86 KDM4E (0.52) MAPTALDH1A1GAAHPGDHTT
SCHEMBL6723473 0.84 KDM4E (0.51) MAPTALDH1A1GAAHPGDHTT
SCHEMBL203833 0.84 POLB (0.60) MAPTALDH1A1GAAHPGDHTT
SCHEMBL14850947 0.83 ALDH1A1 (0.56) ALDH1A1EGFRKMT2ANPC1RAB9A
SCHEMBL3950099 0.83 BCHE (0.44) MAPTALDH1A1GAAHTTEGFR
SCHEMBL213486 0.83 POLB (0.56) MAPTALDH1A1GAAHPGDHTT
SCHEMBL3950107 0.83 BCHE (0.44) MAPTALDH1A1GAAHTTEGFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784180-A4 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 EP disclosed
EP-1784180-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-16 EP disclosed
WO-2006029115-A2 2-AMINO 1H IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO disclosed