SCHEMBL23728829

SCHEMBL23728829

CCOC(=O)c1nc(NCCCN)cn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.39
TEAD2 Q15562 1/20 0.36
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP1A2 P05177 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL24510763 0.82 RPS6KA3 (0.42) RPS6KA3TEAD2ADORA3ADORA2AADORA1
SCHEMBL13879891 0.81 RPS6KA3 (0.45) RPS6KA3ADORA3ADORA2AADORA1CYP1A2
SCHEMBL23728711 0.80 STK17B (0.45) ADORA3ADORA2AADORA1MAPTNPSR1
SCHEMBL23745118 0.80 RPS6KA3 (0.43) RPS6KA3ADORA3ADORA2AADORA1CYP1A2
SCHEMBL13928636 0.76 HDAC1 (0.34) RPS6KA3ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL23728948 0.76 CA1 (0.39) ALDH1A1MAPTSMN1; SMN2HRH3HRH4
Hydrochloric Acid SCHEMBL23728962 0.75 CA1 (0.38) ALDH1A1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL14072191 0.73 RPS6KA3 (0.47) RPS6KA3ADORA3ADORA2AADORA1CYP1A2
SCHEMBL30125576 0.73 HDAC1 (0.46) RPS6KA3MAPTNPSR1KDM4EPOLB
SCHEMBL1594748 0.73 ADORA3 (0.46) ADORA3ADORA2AADORA1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384506-A1 PROCESS FOR POLYAMIDE SYNTHESIS Design Therapeutics, Inc. (US) 2024-06-19 EP disclosed
WO-2023244678-A1 METHODS AND COMPOUNDS FOR MODULATING INHERITED GENETIC DISEASES Design Therapeutics, Inc. (US) 2023-12-21 WO disclosed
WO-2023014793-A1 PROCESS FOR POLYAMIDE SYNTHESIS Design Therapeutics, Inc. (US) 2023-02-09 WO disclosed
EP-4100404-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed