SCHEMBL6583386

SCHEMBL6583386

C(=Cc1nc2ccccc2n1-c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.64
ALDH1A1 P00352 9/20 0.64
NPC1 O15118 8/20 0.64
RAB9A P51151 8/20 0.64
L3MBTL1 Q9Y468 6/20 0.64
MAPT P10636 6/20 0.64
PKM P14618 3/20 0.64
KMT2A Q03164 3/20 0.64
GAA P10253 8/20 0.59
SMN1; SMN2 Q16637 8/20 0.59
GLA P06280 7/20 0.59
TP53 P04637 6/20 0.59
HPGD P15428 5/20 0.59
NFKB1 P19838 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
TDP1 Q9NUW8 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56

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
SCHEMBL6583378 1.00 KDM4E (0.64) KDM4EALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL8550750 1.00 KDM4E (0.64) KDM4EALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL6836872 0.91 ALDH1A1 (0.57) KDM4EALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL8551463 0.91 KDM4E (0.54) KDM4EALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL8551466 0.91 KDM4E (0.54) KDM4EALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL6836874 0.91 ALDH1A1 (0.57) KDM4EALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL6587391 0.90 SMN1; SMN2 (0.57) KDM4EALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL6582335 0.90 SMN1; SMN2 (0.57) KDM4EALDH1A1NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL8550512 0.88 KDM4E (0.55) KDM4EALDH1A1NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL8550521 0.88 KDM4E (0.55) KDM4EALDH1A1NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846689-B1 Benzimidazole compounds PFIZER (US) 2004-01-14 EP claimed
EP-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 EP claimed
EP-0846689-B1 Benzimidazole compounds PFIZER (US) 2004-01-14 EP disclosed
EP-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 EP disclosed