SCHEMBL23867579

SCHEMBL23867579

O=C(Cc1cc(Br)cs1)Nc1ccc(Nc2nc(N3CCCC3)nc3nccnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 6/20 0.40
▸ POLB P06746 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ SLC2A1 P11166 2/20 0.36
▸ CTDSP1 Q9GZU7 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ APEX1 P27695 1/20 0.35

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
SCHEMBL23867576 0.79 LMNA (0.52) POLBMAPTSMN1; SMN2SLC2A1L3MBTL1
SCHEMBL23867474 0.77 SRC (0.51) SRCPOLBMAPTNPC1RAB9A
SCHEMBL23867490 0.75 HRH3 (0.42) SRCMAPTSLC2A1ALDH1A1THRB
SCHEMBL23867489 0.74 MGLL (0.44) SRCPOLBMAPTALDH1A1KMT2A
SCHEMBL23867551 0.73 LMNA (0.61) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31094233 0.73 PKM (0.50) MAPTSMN1; SMN2SLC2A1L3MBTL1ALDH1A1
SCHEMBL3645171 0.72 HTR2C (0.58) MAPTALDH1A1MEN1BLMKMT2A
SCHEMBL27429987 0.70 MAPT (0.48) SRCMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL23867516 0.70 POLB (0.53) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL23867481 0.68 HRH3 (0.51) SRCMAPT

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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