SCHEMBL30102413

SCHEMBL30102413

CCc1cc(NCCOCC(C)C)c(N)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HAT1 O14929 1/20 0.36
KAT7 O95251 1/20 0.36
EP300 Q09472 1/20 0.36
RBBP7 Q16576 1/20 0.36
CREBBP Q92793 1/20 0.36
PTGER4 P35408 3/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL30102414 0.82 PTGER4 (0.33) PTGER4ALDH1A1MAPTL3MBTL1
SCHEMBL30102484 0.79 KDM4E (0.37) PTGER4ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL30102415 0.77 ACHE (0.33) PTGER4
SCHEMBL30102408 0.77 KCNQ2 (0.36) PTGER4ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL30102431 0.74 DRD2 (0.44) PTGER4ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL26971243 0.69 LNPEP (0.47) PTGER4ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7733724 0.67 MAPT (0.41) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7470752 0.65 CD44 (0.48) ALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL30102382 0.65 HDAC8 (0.46) L3MBTL1
SCHEMBL23709948 0.65 TSHR (0.48) ALDH1A1L3MBTL1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272313-A1 MODULATORS OF HISTONE ACETYLTRANSFERASE 1 AND METHODS OF TREATMENT THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-29 WO disclosed