SCHEMBL30234726

SCHEMBL30234726

Cc1nc(N2CCCC2)nc(N(C)c2ccc(NC(=O)Cc3cccs3)cc2)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 11/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ CTDSP1 Q9GZU7 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ BLM P54132 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ ESR2 Q92731 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL23867477 0.84 POLB (0.52) POLBNPC1CASP6MEN1KMT2A
SCHEMBL30234578 0.84 POLB (0.52) POLBNPC1CASP6MEN1KMT2A
SCHEMBL23859942 0.75 POLB (0.55) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL23867525 0.74 HTR2A (0.49) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL23867516 0.72 POLB (0.53) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL23867475 0.71 POLB (0.55) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL30979648 0.68 POLB (0.66) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL23867550 0.68 POLB (0.76) POLBNPC1CASP6MEN1KMT2A
SCHEMBL23867511 0.68 PYGM (0.53) NPC1ALDH1A1PKMRAB9ASMN1; SMN2
SCHEMBL23867479 0.66 POLB (0.49) POLBNPC1MEN1KMT2AALDH1A1

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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