SCHEMBL5218362

SCHEMBL5218362

COc1ccc(-c2nn3ccc(NC4CCCC4)cc3c2C(C)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALOX5 P09917 1/20 0.40
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
CREBBP Q92793 1/20 0.38
TP53 P04637 1/20 0.38
HTR6 P50406 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
BTK Q06187 1/20 0.37
FAAH O00519 1/20 0.37
GFER P55789 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL5214586 0.85 ALDH1A1 (0.39) MAPTALDH1A1HPGDCNR1NPC1
SCHEMBL6105851 0.79 MAPT (0.42) MAPTALDH1A1HPGDCNR1NPC1
SCHEMBL5216599 0.77 GABRP (0.43) MAPTALDH1A1NPC1
SCHEMBL5214934 0.76 EIF2AK2 (0.51) CREBBP
SCHEMBL6104272 0.74 PIM1 (0.40) MAPTALDH1A1HPGDCNR1NPC1
SCHEMBL6822005 0.72 EGFR (0.45) MAPT
SCHEMBL5725747 0.70 EIF2AK2 (0.48) CREBBP
SCHEMBL9911891 0.68 SMN1; SMN2 (0.45) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL5220849 0.66 EIF2AK2 (0.50) CREBBP
SCHEMBL5459554 0.66 ALOX5 (0.42) MAPTALDH1A1CNR1NPC1RAB9A

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-1423389-B1 PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS SMITHKLINE BEECHAM CORP (US) 2007-06-06 EP disclosed