SCHEMBL29331941

SCHEMBL29331941

COc1cc(O)cc(NC(=O)C2(C(=O)Nc3cc(OC)cc(OC)c3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ EGFR P00533 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ P2RX1 P51575 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BACE1 P56817 1/20 0.41

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
SCHEMBL4977098 0.77 KMT2A (0.51) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL7334106 0.77 LMNA (0.68) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL30074433 0.76 NPC1 (0.61) KMT2APOLBALDH1A1MEN1NPC1
SCHEMBL16136596 0.73 EGFR (0.62) GAANPC1RAB9ASMN1; SMN2EGFR
SCHEMBL28228415 0.72 ALDH1A1 (0.48) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL3869333 0.71 KMT2A (0.68) KMT2APOLBALDH1A1GAAMEN1
SCHEMBL5426350 0.71 NPC1 (0.82) KMT2AALDH1A1GAAMEN1NPC1
SCHEMBL28524761 0.71 NPC1 (0.54) KMT2APOLBALDH1A1NPC1RAB9A
SCHEMBL233829 0.70 ALDH1A1 (0.69) KMT2AALDH1A1GAAMEN1NPC1
SCHEMBL29331886 0.70 NPSR1 (0.49) KMT2APOLBGAAMEN1NPC1

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-2024150252-A1 PYRAZOLIDINE-3, 5-DIONE BASED COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2024-07-18 — — WO disclosed
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