SCHEMBL9047231

SCHEMBL9047231

O=C1Nc2ncccc2C1=CCc1ccc(O)c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAF1 P04049 1/20 0.46
NTRK1 P04629 1/20 0.46
ALOX12 P18054 3/20 0.44
PAX8 Q06710 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRD4 O60885 5/20 0.43
CTRC Q99895 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL8319397 0.80 RAF1 (0.60) KDM4EL3MBTL1NPC1RAB9ARAF1
SCHEMBL9056804 0.76 KDM4E (0.68) KDM4EHTTLMNAL3MBTL1NPC1
SCHEMBL31442525 0.76 KDM4E (0.68) KDM4EHTTLMNAL3MBTL1NPC1
SCHEMBL9043235 0.76 CTRC (0.48) HTTLMNANPC1RAB9AGAA
SCHEMBL9044907 0.73 MAPT (0.46) NPC1RAB9AGAASMN1; SMN2RAF1
SCHEMBL9047847 0.71 APP (0.38) SMN1; SMN2RAF1NTRK1CTRCMAPT
SCHEMBL9044710 0.71 MAPT (0.46) L3MBTL1NPC1RAB9AGAASMN1; SMN2
SCHEMBL8321204 0.70 NTRK1 (0.54) KDM4EL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL31106423 0.70 KDM4E (0.68) KDM4EHTTLMNAL3MBTL1NPC1
SCHEMBL6892279 0.70 KDM4E (0.68) KDM4EHTTLMNAL3MBTL1NPC1

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
EP-0741726-A1 SUBSTITUTED 3-ARYLIDENE-7-AZAOXINDOLE COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA & UPJOHN S.p.A. (IT) 1996-11-13 EP disclosed