SCHEMBL23867479

SCHEMBL23867479

Cc1cc(Nc2ccc(NC(=O)Cc3cccs3)cc2)nc(N2CCN(CCO)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 11/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ RAB9A P51151 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ HPGD P15428 4/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ L3MBTL1 Q9Y468 5/20 0.46
▸ TSHR P16473 2/20 0.46
▸ GFER P55789 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ BLM P54132 3/20 0.45
▸ CTDSP1 Q9GZU7 2/20 0.44
▸ PKM P14618 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
SCHEMBL23859942 0.89 POLB (0.55) POLBSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL30979648 0.87 POLB (0.66) POLBSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23867514 0.85 POLB (0.50) POLBSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23867575 0.85 PYGM (0.51) MAPTALDH1A1HPGDHSD17B10LMNA
SCHEMBL23867525 0.83 HTR2A (0.49) POLBSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23867474 0.79 SRC (0.51) POLBSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23867515 0.79 POLB (0.47) POLBSMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23867485 0.79 HCRTR1 (0.46) SMN1; SMN2ALDH1A1HPGDHSD17B10LMNA
SCHEMBL23867576 0.76 LMNA (0.52) POLBSMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL23867551 0.75 LMNA (0.61) POLBSMN1; SMN2RAB9ANPC1MAPT

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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