SCHEMBL31094238

SCHEMBL31094238

Cc1cc(Nc2ccc(NC(=O)Cc3ccc[nH]3)cc2)nc(N2CCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.50
▸ LMNA P02545 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ CCNE1 P24864 5/20 0.45
▸ CDK2 P24941 5/20 0.45
▸ GALR2 O43603 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ GALR1 P47211 2/20 0.43
▸ ROCK1 Q13464 1/20 0.43

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) SLC2A1LMNAHSD17B10ALDH1A1HPGD
SCHEMBL23867649 0.81 ALDH1A1 (0.52) SLC2A1LMNAHSD17B10ALDH1A1HPGD
SCHEMBL23867524 0.79 HCRTR1 (0.52) SLC2A1LMNAHSD17B10ALDH1A1HPGD
SCHEMBL23867523 0.79 SLC2A1 (0.49) SLC2A1LMNAHSD17B10ALDH1A1HPGD
SCHEMBL31094227 0.78 SLC2A1 (0.44) SLC2A1LMNAHSD17B10ALDH1A1HPGD
SCHEMBL31094221 0.78 LMNA (0.49) SLC2A1LMNAHSD17B10ALDH1A1HPGD
SCHEMBL23867576 0.78 LMNA (0.52) SLC2A1LMNAHSD17B10ALDH1A1HPGD
SCHEMBL23867468 0.77 HRH3 (0.45) SLC2A1LMNAHSD17B10ALDH1A1HPGD
SCHEMBL31094224 0.77 SLC2A1 (0.51) SLC2A1LMNAHSD17B10ALDH1A1HPGD
SCHEMBL23867470 0.77 HRH3 (0.44) SLC2A1LMNAHSD17B10ALDH1A1HPGD

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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