SCHEMBL25342017

SCHEMBL25342017

O=C1c2cccc(F)c2C(=O)N1CCCCn1cc(C(=O)N(c2ccc(F)cc2C2CC2)c2ccc([N+](=O)[O-])c3nonc23)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.37
▸ MYC P01106 6/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ IDO1 P14902 3/20 0.32
▸ TDO2 P48775 2/20 0.32
▸ MAX P61244 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC11 Q96DB2 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ NCOR2 Q9Y618 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL30520827 1.00 POLB (0.37) POLBMYCALDH1A1DRD2NPC1
SCHEMBL30520743 0.90 POLB (0.36) POLBMYCALDH1A1DRD2IDO1
SCHEMBL25342122 0.90 POLB (0.36) POLBMYCALDH1A1DRD2IDO1
SCHEMBL31053925 0.89 POLB (0.44) POLBMYCALDH1A1DRD2IDO1
SCHEMBL30521537 0.84 ALDH1A1 (0.37) POLBMYCALDH1A1DRD2IDO1
SCHEMBL25342588 0.84 ALDH1A1 (0.37) POLBMYCALDH1A1DRD2IDO1
SCHEMBL25342611 0.83 POLB (0.33) POLBMYCNPC1IDO1TDO2
SCHEMBL30521090 0.83 POLB (0.33) POLBMYCNPC1IDO1TDO2
SCHEMBL25342753 0.83 ACHE (0.37) POLBMYCALDH1A1DRD2IDO1
SCHEMBL30521077 0.83 ACHE (0.37) POLBMYCALDH1A1DRD2IDO1

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-2023143494-A1 NEW PROTAC COMPOUND 甘李药业股份有限公司 2023-08-03 — — WO disclosed
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