SCHEMBL31094233

SCHEMBL31094233

Cc1cc(NCc2ccc(NC(=O)Cc3cc(Br)cs3)cc2)nc(N2CCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.50
▸ SLC2A1 P11166 2/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ GLA P06280 1/20 0.41
▸ CTNNB1 P35222 8/20 0.41
▸ TCF7L2 Q9NQB0 8/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39

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
SCHEMBL23867576 0.89 LMNA (0.52) SLC2A1ALDH1A1HPGDLMNAKDM4E
SCHEMBL23867551 0.83 LMNA (0.61) PKMALDH1A1GLAHPGDLMNA
SCHEMBL31094221 0.76 LMNA (0.49) SLC2A1ALDH1A1HPGDLMNAKDM4E
SCHEMBL23859942 0.76 POLB (0.55) PKMSLC2A1ALDH1A1HPGDLMNA
SCHEMBL31094223 0.74 CCNE1 (0.48) ALDH1A1HPGDLMNAKDM4EALOX15
SCHEMBL23867579 0.73 SRC (0.40) PKMSLC2A1ALDH1A1KDM4EHSD17B10
SCHEMBL31094226 0.71 MAPT (0.44) ALDH1A1HPGDLMNAKDM4EALOX15
SCHEMBL30979648 0.70 POLB (0.66) PKMALDH1A1GLAHPGDLMNA
SCHEMBL23867470 0.70 HRH3 (0.44) PKMSLC2A1ALDH1A1HPGDLMNA
SCHEMBL23867649 0.69 ALDH1A1 (0.52) SLC2A1ALDH1A1HPGDLMNAKDM4E

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
WO-2024211314-A2 INHIBITORS OF CHD1L AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2024-10-10 — — WO claimed
WO-2024211314-A2 INHIBITORS OF CHD1L AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2024-10-10 — — WO disclosed
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