SCHEMBL19052068

SCHEMBL19052068

CCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(cc(/C=C/c7cc8c9c(ccc%10c%11ccc%12c%13c(ccc(c7c9%10)c%13%11)C(=O)N(CCCCCCCCCCC)C%12=O)C(=O)N(CCCCCCCCCCC)C8=O)c(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCC)C5=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TERT O14746 10/20 0.49
▸ MEN1 O00255 2/20 0.43
▸ RGS12 O14924 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ USP2 O75604 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL19052078 1.00 STAT3 (0.50) STAT3HIF1ATERTMEN1RGS12
SCHEMBL21726086 0.96 STAT3 (0.47) STAT3HIF1ATERTMEN1RGS12
SCHEMBL19052062 0.92 STAT3 (0.44) STAT3HIF1ATERTMEN1RGS12
SCHEMBL19052074 0.92 STAT3 (0.44) STAT3HIF1ATERTMEN1RGS12
SCHEMBL19052082 0.89 STAT3 (0.41) STAT3HIF1ATERTMEN1RGS12
SCHEMBL19052079 0.89 STAT3 (0.41) STAT3HIF1ATERTMEN1RGS12
SCHEMBL26495063 0.87 STAT3 (0.55) STAT3HIF1ATERTMEN1RGS12
SCHEMBL8071104 0.85 STAT3 (0.65) STAT3HIF1ATERTMEN1RGS12
SCHEMBL18379137 0.85 STAT3 (0.65) STAT3HIF1ATERTMEN1RGS12
SCHEMBL18376159 0.85 STAT3 (0.65) STAT3HIF1ATERTMEN1RGS12

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
US-20170186961-A1 ORGANIC SEMICONDUCTOR COMPOUNDS AND METHODS OF USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-06-29 — — US disclosed
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