SCHEMBL30979651

SCHEMBL30979651

Cc1cc(Nc2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)nc(N2CCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.51
▸ HTR1A P08908 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAPT P10636 6/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.49
▸ KMT2A Q03164 7/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL30165658 0.83 HRH3 (0.53) NPC1MAPTHRH3LMNAALDH1A1
SCHEMBL23859943 0.83 HRH3 (0.53) NPC1MAPTHRH3LMNAALDH1A1
SCHEMBL23867468 0.82 HRH3 (0.45) SLC2A1MAPTHRH3KMT2AMEN1
SCHEMBL30234700 0.81 HRH3 (0.47) SLC2A1HTR1APOLBMAPTHRH3
SCHEMBL23867470 0.81 HRH3 (0.44) SLC2A1MAPTHRH3KMT2AMEN1
SCHEMBL23867472 0.81 HRH3 (0.48) SLC2A1POLBMAPTHRH3KMT2A
SCHEMBL23867524 0.80 HCRTR1 (0.52) SLC2A1MAPTHRH3KMT2AMEN1
SCHEMBL23867509 0.80 CCNE1 (0.50) MAPTLMNAALDH1A1KDM4E
SCHEMBL23867523 0.80 SLC2A1 (0.49) SLC2A1MAPTLMNAMAPK1ALDH1A1
SCHEMBL23867473 0.80 HCRTR1 (0.53) SLC2A1HTR1AMAPK1HCRTR1HCRTR2

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
CN-118338898-A Small molecule inhibitors of oncogenic CHD1L with preclinical anti-colorectal cancer activity 科罗拉多州立大学董事会(法人团体) 2024-07-12 — — CN disclosed
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