SCHEMBL11558315

SCHEMBL11558315

C#Cc1cccc(Oc2ccc3c4c(cccc24)C(=O)OC3=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 7/20 0.42
▸ MCL1 Q07820 7/20 0.42
▸ BCL2 P10415 6/20 0.42
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HAO1 Q9UJM8 1/20 0.37
▸ PRMT1 Q99873 1/20 0.35
▸ BCL2L1 Q07817 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMARCA2 P51531 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35

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
SCHEMBL11204757 0.82 KMT2A (0.44) MCL1BCL2POLBKMT2AMEN1
SCHEMBL11206466 0.81 KMT2A (0.41) MCL1BCL2POLBKMT2AMEN1
SCHEMBL11558311 0.79 HAO1 (0.36) POLBHAO1TDP2
SCHEMBL3447724 0.78 MAOA (0.43) POLBHAO1ALDH1A1MAPTHTT
SCHEMBL17726870 0.77 MAPT (0.43) TYMSMCL1BCL2POLBKMT2A
SCHEMBL6937952 0.75 TYMS (0.60) TYMSMCL1BCL2POLBKMT2A
SCHEMBL23430836 0.74 MCL1 (0.56) TYMSMCL1BCL2POLBKMT2A
SCHEMBL11209931 0.74 KMT2A (0.44) MCL1BCL2POLBKMT2AMEN1
SCHEMBL16291732 0.73 TYMS (0.53) TYMSMCL1BCL2POLBKMT2A
SCHEMBL12129683 0.72 CYP1A2 (0.36) TYMSPOLBKMT2AMEN1HAO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4151358-A Ethynyl-substituted bis-naphthalimides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1979-04-24 — — US disclosed
US-4086248-A Ethynyl-substituted aromatic anhydrides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1978-04-25 — — US disclosed
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