SCHEMBL24489124

SCHEMBL24489124

COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 8/20 0.66
▸ CDK4 P11802 3/20 0.58
▸ CCND1 P24385 3/20 0.58
▸ CYP1A1 P04798 3/20 0.57
▸ CYP1B1 Q16678 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ TNKS O95271 3/20 0.51
▸ TNKS2 Q9H2K2 3/20 0.51
▸ PARP2 Q9UGN5 2/20 0.51
▸ NLRP3 Q96P20 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ PARP1 P09874 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ ABCG2 Q9UNQ0 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
SCHEMBL24490603 0.85 GUSB (0.71) GUSBCDK4CCND1CYP1A1CYP1B1
SCHEMBL31238611 0.81 GUSB (1.00) GUSBCDK4CCND1CYP1A1CYP1B1
SCHEMBL16007517 0.81 GUSB (1.00) GUSBCDK4CCND1CYP1A1CYP1B1
SCHEMBL23743167 0.77 GUSB (0.75) GUSBCDK4CCND1CYP1A1CYP1B1
SCHEMBL14129384 0.76 MAPT (0.56) NPC1RAB9A
SCHEMBL16018033 0.75 GUSB (0.80) GUSBCDK4CCND1CYP1A1CYP1B1
SCHEMBL15690419 0.74 GUSB (0.80) GUSBCDK4CCND1CYP1A1CYP1B1
SCHEMBL15691348 0.73 CYP1A1 (1.00) GUSBCDK4CCND1CYP1A1CYP1B1
SCHEMBL15690958 0.73 GUSB (1.00) GUSBCDK4CCND1CYP1A1CYP1B1
SCHEMBL16017996 0.72 GUSB (0.76) GUSBCDK4CCND1CYP1A1CYP1B1

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
EP-4008717-A2 NOVEL INHIBITORS OF INSULIN-LIKE GROWTH FACTOR 2 MRNA BINDING PROTEINS Martin-Luther-Universität Halle-Wittenberg (DE) 2022-06-08 — — EP disclosed
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