SCHEMBL9599277

SCHEMBL9599277

COc1ccc(-c2nc3cc4ccc(=O)[nH]c4cc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.55
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 3/20 0.55
PKM P14618 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.54
KMT2A Q03164 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
STAT1 P42224 1/20 0.54
HTT P42858 1/20 0.54
NPBWR1 P48145 1/20 0.54
SAE1 Q9UBE0 1/20 0.54

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
SCHEMBL9702950 0.82 SLC2A1 (0.59) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9598512 0.82 PRKD3 (0.43) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL9702909 0.82 SLC2A1 (0.55) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9599136 0.81 ALDH1A1 (0.57) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL10699867 0.77 NPC1 (0.58) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL8603235 0.77 SLC2A1 (0.76) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL419326 0.77 NPC1 (0.71) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL24074302 0.76 ALDH1A1 (0.63) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL10553321 0.76 LMNA (0.52) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL1082799 0.76 MAPT (0.56) NPC1SMN1; SMN2RAB9AALDH1A1PKM

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
US-5212186-A Asthma, anticoagulant BEIERSDORF AKTIENGESELLSCHAFT (DE) 1993-05-18 US disclosed
EP-0473963-A1 Pyrrolobenzimidazoles, imidazobenzoxazinones, and imidazoquinolones, processes for their preparation and their use as well as compositions containing these compounds Beiersdorf-Lilly GmbH (DE) 1992-03-11 EP disclosed