SCHEMBL23867516

SCHEMBL23867516

O=C(Cc1cccs1)Nc1ccc(Nc2nc(N3CCCC3)ncc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 8/20 0.53
▸ MAPT P10636 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ CTDSP1 Q9GZU7 3/20 0.52
▸ BLM P54132 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ HSD17B10 Q99714 3/20 0.51
▸ ESR2 Q92731 3/20 0.51
▸ RECQL P46063 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ SHMT2 P34897 1/20 0.48

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
SCHEMBL23867515 0.89 POLB (0.47) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30234578 0.84 POLB (0.52) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23867477 0.84 POLB (0.52) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23867475 0.82 POLB (0.55) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23859942 0.77 POLB (0.55) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23867525 0.74 HTR2A (0.49) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30979645 0.74 SYK (0.58) BCL6PDE4B
SCHEMBL23867514 0.72 POLB (0.50) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL30234726 0.72 POLB (0.51) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23867474 0.72 SRC (0.51) POLBMAPTSMN1; SMN2NPC1RAB9A

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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