SCHEMBL23867576

SCHEMBL23867576

Cc1cc(Nc2ccc(NC(=O)Cc3cc(Br)cs3)cc2)nc(N2CCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ MAPT P10636 2/20 0.51
▸ MAPK1 P28482 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ SLC2A1 P11166 3/20 0.47
▸ POLB P06746 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CCNE1 P24864 4/20 0.44
▸ CDK2 P24941 4/20 0.44
▸ GALR2 O43603 1/20 0.43
▸ 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 0.42

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
SCHEMBL23867551 0.93 LMNA (0.61) LMNAHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL31094233 0.89 PKM (0.50) LMNAHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL31094221 0.86 LMNA (0.49) LMNAHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL23859942 0.86 POLB (0.55) LMNAHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL31094223 0.84 CCNE1 (0.48) LMNAHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL31094226 0.81 MAPT (0.44) LMNAHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL30979648 0.81 POLB (0.66) LMNAHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL23867649 0.80 ALDH1A1 (0.52) LMNAHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL23867579 0.79 SRC (0.40) HSD17B10ALDH1A1KDM4EMAPTSLC2A1
SCHEMBL31094238 0.78 SLC2A1 (0.50) LMNAHSD17B10ALDH1A1HPGDKDM4E

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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