SCHEMBL28405706

SCHEMBL28405706

Cc1cccc(C=Cc2ccccn2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.58
PTGS2 P35354 3/20 0.58
NPC1 O15118 7/20 0.57
RAB9A P51151 6/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 1/20 0.56
ALOX5 P09917 1/20 0.50
RELA Q04206 1/20 0.49
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GRM4 Q14833 2/20 0.47
GRM5 P41594 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL709598 0.90 NPC1 (0.48) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL709599 0.90 NPC1 (0.48) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL28600214 0.81 RAB9A (0.53) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL30195193 0.81 RAB9A (0.53) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL28600212 0.81 RAB9A (0.53) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL1795132 0.80 PTGS1 (0.69) PTGS1PTGS2NPC1RAB9AALDH1A1
SCHEMBL1795130 0.80 PTGS1 (0.69) PTGS1PTGS2NPC1RAB9AALDH1A1
SCHEMBL21847980 0.80 PTGS1 (0.69) PTGS1PTGS2NPC1RAB9AALDH1A1
SCHEMBL707730 0.79 NPC1 (0.64) PTGS1PTGS2NPC1RAB9AMEN1
SCHEMBL707731 0.79 NPC1 (0.64) PTGS1PTGS2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109206444-B Photo-shrinkable metal-organic framework compounds 苏州大学 2020-05-01 CN claimed
CN-109206444-B Photo-shrinkable metal-organic framework compounds 苏州大学 2020-05-01 CN disclosed
CN-109206444-B Photo-shrinkable metal-organic framework compounds 苏州大学 2020-05-01 CN disclosed