SCHEMBL7459986

SCHEMBL7459986

CN1CCN(c2cc3ncnc(N(C)c4cccs4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 5/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
WDR5 P61964 1/20 0.37
KMT2A Q03164 1/20 0.37
EIF2AK2 P19525 1/20 0.36
MAPK1 P28482 1/20 0.36
GPR174 Q9BXC1 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL7475788 0.91 MAPT (0.40) ALDH1A1ACHEBACE1MAPTSMN1; SMN2
SCHEMBL7468284 0.88 MAPT (0.43) ALDH1A1ACHEBACE1MAPTSMN1; SMN2
SCHEMBL7464180 0.82 ACHE (0.40) ALDH1A1ACHEBACE1MAPTSMN1; SMN2
SCHEMBL7472217 0.81 EGFR (0.44) MAPTLMNA
SCHEMBL8825760 0.77 PDGFRB (0.42) ALDH1A1MAPTSMN1; SMN2LMNAPKM
SCHEMBL7459991 0.76 LMNA (0.52) ALDH1A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7476281 0.75 HRH4 (0.51) ALDH1A1ACHEBACE1MAPTSMN1; SMN2
SCHEMBL7469778 0.73 MAPT (0.45) ALDH1A1ACHEBACE1MAPTSMN1; SMN2
SCHEMBL7468270 0.72 MAPT (0.40) ALDH1A1ACHEBACE1MAPTSMN1; SMN2
SCHEMBL7470183 0.72 MAPT (0.42) ALDH1A1ACHEBACE1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed