SCHEMBL12460593

SCHEMBL12460593

NCCNC(=O)CCCc1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
TRPV1 Q8NER1 2/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL12223552 0.86 KMT2A (0.52) CA1CA2L3MBTL1HDAC3HDAC4
SCHEMBL21398443 0.86 ALB (0.57) CA1CA2L3MBTL1TRPV1LMNA
SCHEMBL19185401 0.85 L3MBTL1 (0.70) L3MBTL1TRPV1HDAC3HDAC4HDAC1
SCHEMBL583496 0.84 CA1 (0.60) CA1CA2TRPV1HDAC3HDAC4
SCHEMBL8269277 0.84 LMNA (0.50) L3MBTL1TRPV1HDAC3HDAC4HDAC1
SCHEMBL6413637 0.83 CA1 (0.55) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL8269281 0.83 L3MBTL1 (0.50) L3MBTL1TRPV1HDAC3HDAC4HDAC1
SCHEMBL8269283 0.82 ALB (0.51) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8269288 0.81 ALB (0.50) L3MBTL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL22403771 0.80 HPGD (0.54) CA1CA2MEN1ALDH1A1KMT2A

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
EP-3981819-B1 NOVEL REAGENTS FOR DIRECTED BIOMARKER SIGNAL AMPLIFICATION SIRIGEN II LTD (GB) 2024-02-28 EP disclosed
WO-2011091086-A1 NOVEL REAGENTS FOR DIRECTED BIOMARKER SIGNAL AMPLIFICATION SIRIGEN INC. (US) 2011-07-28 WO disclosed