SCHEMBL30234151

SCHEMBL30234151

Cc1cc(Nc2ccc(NC(=O)/C=C/c3c[nH]c4ccccc34)cc2)nc(N2CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.46
▸ MAPT P10636 6/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ LMNA P02545 4/20 0.41
▸ THRB P10828 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CCNE1 P24864 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ GALR2 O43603 1/20 0.40

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
SCHEMBL23859943 0.83 HRH3 (0.53) MAPTLMNACCNE1CDK2KDM4E
SCHEMBL30165658 0.83 HRH3 (0.53) MAPTLMNACCNE1CDK2KDM4E
SCHEMBL23867509 0.80 CCNE1 (0.50) MAPTLMNACCNE1CDK2KDM4E
SCHEMBL30979651 0.80 SLC2A1 (0.51) MAPTMEN1KMT2APOLBLMNA
SCHEMBL31094226 0.78 MAPT (0.44) MAPTPOLBLMNANPSR1CCNE1
SCHEMBL23867651 0.77 LMNA (0.53) MAPTPOLBL3MBTL1LMNANPSR1
SCHEMBL23867523 0.75 SLC2A1 (0.49) MAPTLMNACCNE1CDK2KDM4E
SCHEMBL23867521 0.74 HTR1A (0.50) LMNACCNE1CDK2KDM4EALDH1A1
SCHEMBL23867468 0.73 HRH3 (0.45) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL30234371 0.73 ROCK1 (0.46) MAPTL3MBTL1LMNACCNE1CDK2

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 1 patent. 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
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