SCHEMBL27090004

SCHEMBL27090004

O=C(O)CCCCN1Cc2ccccc2C=Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
NOTUM Q6P988 1/20 0.39
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38

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
SCHEMBL23883102 0.99 HDAC3 (0.48) HDAC3KDM4EMAPTMEN1POLB
SCHEMBL23883100 0.99 HDAC3 (0.48) HDAC3KDM4EMAPTMEN1POLB
SCHEMBL20139341 0.96 KDM4E (0.47) HDAC3KDM4EMAPTMEN1POLB
SCHEMBL20139342 0.96 KDM4E (0.47) HDAC3KDM4EMAPTMEN1POLB
SCHEMBL25697533 0.85 HDAC3 (0.51) HDAC3HDAC8P2RX4HSD17B3HTR1A
SCHEMBL19432848 0.81 NOTUM (0.48) HDAC3KDM4EMAPTMEN1POLB
SCHEMBL18730195 0.78 MAPT (0.50) HDAC3KDM4EMAPTMEN1POLB
SCHEMBL25698882 0.77 HDAC3 (0.45) HDAC3KDM4EMAPTMEN1POLB
SCHEMBL23600056 0.77 HDAC3 (0.38) HDAC3KDM4EMAPTMEN1POLB
SCHEMBL9379346 0.77 HDAC3 (0.74) HDAC3KDM4EMAPTMEN1POLB

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-20240052401-A1 NANOTRAIN FOR SINGLE-MOLECULE DETECTION UNIVERSAL SEQUENCING TECHNOLOGY CORPORATION (US) 2024-02-15 US disclosed
WO-2022226426-A1 A NANOTRAIN FOR SINGLE-MOLECULE DETECTION UNIVERSAL SEQUENCING TECHNOLOGY CORPORATION (US) 2022-10-27 WO disclosed