SCHEMBL8017785

SCHEMBL8017785

CCOP(=O)(OCC)c1nc(C(=O)O)n(C2Cc3c(Cc4nnn(Cc5ccccc5)n4)cccc3C2=O)c1CC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.35
CNR2 P34972 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RIPK1 Q13546 1/20 0.30

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
SCHEMBL7820073 0.85 HDAC6 (0.36) HDAC6CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL7831411 0.78 HDAC6 (0.39) HDAC6CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL7832157 0.76 HDAC6 (0.39) HDAC6CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL7830747 0.73 HDAC6 (0.43) HDAC6CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL8524137 0.71
SCHEMBL7829183 0.65 HDAC6 (0.48) HDAC6CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL8563039 0.59 HDAC6 (0.54) HDAC6CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL7835755 0.59 ALDH1A1 (0.36) SMN1; SMN2
SCHEMBL4409125 0.58 RAB9A (0.59) HDAC6CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL8098049 0.58 SMN1; SMN2 (0.35) SMN1; SMN2

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-6100264-A 5H, 10H-imidazo [1,2-A] indeno [1,2-E] pyrazin-4-one derivatives, their preparation, their intermediates and medicaments containing them RHONE-POULENC RORER, S.A. (FR) 2000-08-08 US disclosed
US-5990108-A USEFUL AS ANTAGONISTS OF THE ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID (AMPA) RECEPTOR, ALSO KNOWN AS THE QUISQUALATE RECEPTOR, AND AS ANTAGONISTS OF THE N-METHYL-D-ASPARTATE (NMDA) RECEPTOR RHONE POULENC RORER S.A. (FR) 1999-11-23 US disclosed