SCHEMBL11429773

SCHEMBL11429773

O=C(O)c1cc(O)cc2cccnc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HSP90AA1 P07900 4/20 0.54
HSP90AB1 P08238 4/20 0.54
LMNA P02545 2/20 0.54
ALOX12 P18054 1/20 0.54
KDM4E B2RXH2 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TET2 Q6N021 2/20 0.50
TET1 Q8NFU7 2/20 0.50
KDM6B O15054 1/20 0.50
KDM6A O15550 1/20 0.50
TET3 O43151 1/20 0.50
KDM4A O75164 1/20 0.50
KDM4B O94953 1/20 0.50
KDM5C P41229 1/20 0.50
KDM4D Q6B0I6 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.50
FTO Q9C0B1 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
KDM4C Q9H3R0 1/20 0.50

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
SCHEMBL68215 0.83 ALDH1A1 (0.54) ALDH1A1LMNAALOX12KDM4EL3MBTL1
SCHEMBL29089214 0.83 ALDH1A1 (0.54) ALDH1A1LMNAALOX12KDM4EL3MBTL1
SCHEMBL30605381 0.83 ALDH1A1 (0.54) ALDH1A1LMNAALOX12KDM4EL3MBTL1
SCHEMBL744645 0.81 ALDH1A1 (0.53) ALDH1A1LMNAALOX12KDM4EL3MBTL1
SCHEMBL21816294 0.81 PSMD14 (0.56) ALDH1A1LMNAALOX12KDM4EL3MBTL1
SCHEMBL8544466 0.81 ALDH1A1 (0.53) ALDH1A1HSP90AA1HSP90AB1LMNAALOX12
SCHEMBL4602037 0.81 ALDH1A1 (0.53) ALDH1A1LMNAALOX12KDM4EL3MBTL1
SCHEMBL29046675 0.81 KDM4E (0.55) ALDH1A1HSP90AA1HSP90AB1KDM4EEGLN1
SCHEMBL14820315 0.79 MEN1 (0.53) ALDH1A1LMNAALOX12KDM4EL3MBTL1
SCHEMBL111826 0.78 PARP1 (0.70) ALDH1A1HSP90AA1LMNAALOX12KDM4E

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-4186201-A ANTIALLERGIC AGENTS RIKER LABORATORIES, INC. (US) 1980-01-29 US disclosed
US-4147694-A ANTIALLERGENS, ANTIHISTAMINES RIKER LABORATORIES, INC. (US) 1979-04-03 US disclosed