SCHEMBL21067729

SCHEMBL21067729

CCCNCCCN(CC)CCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
PAOX Q6QHF9 1/20 0.43
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA5B Q9Y2D0 3/20 0.41
ALOX15 P16050 3/20 0.41
CASP2 P42575 2/20 0.41
F13A1 P00488 2/20 0.41
CYP1A2 P05177 2/20 0.41
THPO P40225 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL8056125 0.86 PAOX (0.42) TDP1PAOXCA12CA2CA4
SCHEMBL5518322 0.86 ALOX15 (0.54) TDP1PAOXCA12CA2CA4
SCHEMBL323710 0.85 TDP1 (0.61) TDP1PAOXCA12CA2CA4
SCHEMBL9542393 0.85 PAOX (0.55) TDP1PAOXCYP1A2CYP2C19MEN1
SCHEMBL427900 0.83 TDP1 (0.59) TDP1PAOXCA12CA2CA4
SCHEMBL4562189 0.83 PAOX (0.55) TDP1PAOXCA12CA2CA4
SCHEMBL26448079 0.83 TDP1 (0.66) TDP1PAOXCA12CA2CA4
SCHEMBL4562850 0.83 PAOX (0.53) TDP1PAOXCA12CA2CA4
SCHEMBL4562729 0.82 PAOX (0.58) TDP1PAOXCA12CA2CA4
Hydrochloric Acid SCHEMBL6114403 0.82 UBE2N (0.58) TDP1PAOXCA12CA2CA4

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
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
EP-3524614-A1 COMPOUNDS WEAKENING SAICAR SYNTHASE ACTIVITY, AND APPLICATIONS Geneheal Biotechnology Co., Ltd. (CN) 2019-08-14 EP disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed