SCHEMBL6964298

SCHEMBL6964298

O=CNNC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
KDM4E B2RXH2 2/20 0.61
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
PTGS2 P35354 2/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
HDAC3 O15379 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
IDO1 P14902 1/20 0.52
ALOX15 P16050 1/20 0.52
HDAC1 Q13547 1/20 0.52
CA9 Q16790 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL29094950 0.85 MAPT (0.50) MAPTKDM4ENPC1RAB9AHSD17B10
SCHEMBL11398581 0.81 GAA (0.63) KDM4ENPC1RAB9AALDH1A1MEN1
SCHEMBL400890 0.81 RAB9A (0.77) KDM4ENPC1RAB9APTGS2CTDSP1
SCHEMBL6966527 0.81 MAPT (0.59) MAPTKDM4ENPC1RAB9APTGS2
SCHEMBL28003152 0.81 MAPT (0.59) MAPTKDM4ENPC1RAB9APTGS2
SCHEMBL3003252 0.79 ALDH1A1 (0.69) KDM4EPTGS2HDAC3CA1HDAC1
SCHEMBL18745918 0.79 TPMT (0.45) MAPTKDM4ENPC1RAB9ACTDSP1
SCHEMBL8681380 0.79 ALDH1A1 (0.57) MAPTKDM4ENPC1RAB9ACTDSP1
SCHEMBL16312774 0.79 LMNA (0.52) MAPTKDM4ENPC1RAB9ACA12
SCHEMBL12324391 0.79 RAB9A (0.82) MAPTKDM4ENPC1RAB9APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1230196-A Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 1999-09-29 CN claimed
WO-2023107557-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-5110986-A Reaction of a 1,3,4-oxadiazole with a tert-alkyl cation precursor in presence of strong acid catalyst ROHM AND HAAS COMPANY (US) 1992-05-05 US disclosed