SCHEMBL23867477

SCHEMBL23867477

Cc1nc(N2CCCC2)nc(Nc2ccc(NC(=O)Cc3cccs3)cc2)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 11/20 0.52
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ CTDSP1 Q9GZU7 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ BLM P54132 2/20 0.51
▸ PKM P14618 1/20 0.51
▸ ESR2 Q92731 3/20 0.50
▸ RECQL P46063 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ HPGD P15428 1/20 0.46

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
SCHEMBL30234578 1.00 POLB (0.52) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL23867525 0.89 HTR2A (0.49) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL23867516 0.84 POLB (0.53) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL30234726 0.84 POLB (0.51) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL23867511 0.83 PYGM (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL23859942 0.82 POLB (0.55) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL23867475 0.77 POLB (0.55) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL30979648 0.74 POLB (0.66) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL23867515 0.74 POLB (0.47) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL23867574 0.74 PYGM (0.53) HPGD

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-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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