SCHEMBL7965469

SCHEMBL7965469

O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc2cccnc2c1O

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 13/20 0.74
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GPR55 Q9Y2T6 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53

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
Hydrochloric Acid SCHEMBL7684636 0.99 EGLN1 (0.72) EGLN1RAB9ANPC1SMN1; SMN2GPR55
SCHEMBL7961819 0.88 EGLN1 (0.69) EGLN1MEN1KMT2A
SCHEMBL7965470 0.87 EGLN1 (0.79) EGLN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7689282 0.87 EGLN1 (0.68) EGLN1MEN1KMT2A
Hydrochloric Acid SCHEMBL7688566 0.86 EGLN1 (0.77) EGLN1ALDH1A1MAPT
SCHEMBL2201326 0.86 EGLN1 (1.00) EGLN1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2202554 0.84 EGLN1 (0.80) EGLN1RAB9ANPC1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7693361 0.83 EGLN1 (0.79) EGLN1RAB9ANPC1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7691643 0.81 EGLN1 (0.76) EGLN1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL7689924 0.81 EGLN1 (0.76) EGLN1RAB9ANPC1ALDH1A1

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
US-6310211-B1 ANTI-VIRAL ACTIVITY AGAINST HERPES VIRUS, CYTOMEGALOVIRUS. MANY OF THESE COMPOUNDS ARE ALSO ACTIVE AGAINST VARICELLA ZOSTER VIRUS, EPSTEIN-BARR VIRUS, HERPES SIMPLEX VIRUS AND HUMAN HERPES VIRUS TYPE 8 PHARMACIA & UPJOHN COMPANY 2001-10-30 US claimed