SCHEMBL23867649

SCHEMBL23867649

Cc1cc(Nc2ccc(NC(=O)CC(C)C)cc2)nc(N2CCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ MAPT P10636 3/20 0.51
▸ SLC2A1 P11166 3/20 0.49
▸ CCNE1 P24864 3/20 0.48
▸ CDK2 P24941 3/20 0.48
▸ GAA P10253 1/20 0.48
▸ GALR2 O43603 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL23859942 0.81 POLB (0.55) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL31094238 0.81 SLC2A1 (0.50) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL23867651 0.80 LMNA (0.53) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL23867576 0.80 LMNA (0.52) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL31094221 0.80 LMNA (0.49) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL30234817 0.78 LMNA (0.52) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL31094224 0.77 SLC2A1 (0.51) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL23867523 0.77 SLC2A1 (0.49) ALDH1A1LMNAHPGDHSD17B10KDM4E
SCHEMBL16245114 0.76 LMNA (0.64) LMNAHPGDKDM4EMAPTSLC2A1
SCHEMBL23859940 0.76 MAPT (0.62) ALDH1A1LMNAHPGDHSD17B10KDM4E

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-2021195279-A2 SMALL MOLECULE INHIBITORS OF ONCOGENIC CHD1L WITH PRECLINICAL ACTIVITY AGAINST COLORECTAL CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-09-30 — — WO disclosed
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