SCHEMBL23867524

SCHEMBL23867524

Cc1cc(Nc2ccc(NC(=O)Cc3c[nH]c4ncccc34)cc2)nc(N2CCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.52
▸ HCRTR2 O43614 1/20 0.52
▸ SLC2A1 P11166 3/20 0.47
▸ LMNA P02545 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CDK2 P24941 5/20 0.41
▸ CCNE1 P24864 3/20 0.41

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
SCHEMBL23867485 0.90 HCRTR1 (0.46) HCRTR1HCRTR2LMNAHSD17B10ALDH1A1
SCHEMBL30234371 0.86 ROCK1 (0.46) HCRTR1HCRTR2LMNAHSD17B10ALDH1A1
SCHEMBL31094227 0.85 SLC2A1 (0.44) SLC2A1LMNAHSD17B10ALDH1A1KDM4E
SCHEMBL23867468 0.83 HRH3 (0.45) HCRTR1HCRTR2SLC2A1LMNAHSD17B10
SCHEMBL23867470 0.82 HRH3 (0.44) HCRTR1HCRTR2SLC2A1LMNAHSD17B10
SCHEMBL30234700 0.82 HRH3 (0.47) SLC2A1LMNAHSD17B10ALDH1A1KDM4E
SCHEMBL23867472 0.81 HRH3 (0.48) HCRTR1HCRTR2SLC2A1LMNAHSD17B10
SCHEMBL23867490 0.81 HRH3 (0.42) HCRTR1HCRTR2SLC2A1LMNAALDH1A1
SCHEMBL23867473 0.81 HCRTR1 (0.53) HCRTR1HCRTR2SLC2A1KDM4EHPGD
SCHEMBL30979651 0.80 SLC2A1 (0.51) HCRTR1HCRTR2SLC2A1LMNAALDH1A1

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-2023055763-A2 SMALL MOLECULE INHIBITORS OF ONCOGENIC CHD1L WITH PRECLINICAL ACTIVITY AGAINST COLORECTRAL CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-04-06 — — WO disclosed
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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