SCHEMBL23867523

SCHEMBL23867523

Cc1cc(Nc2ccc(NC(=O)Cc3c(C)[nH]c4ccccc34)cc2)nc(N2CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.49
▸ KLK6 Q92876 2/20 0.49
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ CCNE1 P24864 3/20 0.43
▸ CDK2 P24941 3/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ RET P07949 2/20 0.42
▸ GALR2 O43603 2/20 0.42
▸ GALR1 P47211 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ NTRK1 P04629 1/20 0.41
▸ MAPK1 P28482 1/20 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
SCHEMBL30979651 0.80 SLC2A1 (0.51) SLC2A1LMNAKDM4EALDH1A1MAPT
SCHEMBL31094238 0.79 SLC2A1 (0.50) SLC2A1LMNAKDM4EALDH1A1HSD17B10
SCHEMBL31094224 0.79 SLC2A1 (0.51) SLC2A1LMNAKDM4EALDH1A1HSD17B10
SCHEMBL23859943 0.78 HRH3 (0.53) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL30165658 0.78 HRH3 (0.53) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL23859942 0.78 POLB (0.55) SLC2A1LMNAKDM4EALDH1A1HSD17B10
SCHEMBL23867524 0.77 HCRTR1 (0.52) SLC2A1LMNAKDM4EALDH1A1HSD17B10
SCHEMBL23867649 0.77 ALDH1A1 (0.52) SLC2A1LMNAKDM4EALDH1A1HSD17B10
SCHEMBL31094227 0.76 SLC2A1 (0.44) SLC2A1LMNAKDM4EALDH1A1HSD17B10
SCHEMBL23867468 0.76 HRH3 (0.45) SLC2A1LMNAKDM4EALDH1A1HSD17B10

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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