Pyrene

Pyrene

SCHEMBL5535684

CCC(C(=O)O)c1c(N2C(=O)CCC2=O)cc2ccc3cccc4ccc1c2c34.CCCC(=O)O.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AKR1C3 P42330 4/20 0.32
AKR1C2 P52895 4/20 0.32
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
MAPK1 P28482 1/20 0.31
AKR1C1 Q04828 1/20 0.30
PTGS1 P23219 1/20 0.30
MAPT P10636 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
Pyrene SCHEMBL1061899 1.00 KMT2A (0.38) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL5349813 0.95 AKR1C3 (0.35) KMT2AMEN1KDM4EALDH1A1HPGD
Butyric Acid SCHEMBL1284593 0.81 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1HPGD
Pyrene SCHEMBL29695823 0.80 KMT2A (0.50) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL1133422 0.75 KMT2A (0.54) KMT2AMEN1KDM4EALDH1A1HPGD
Pyrene SCHEMBL5502107 0.73 KMT2A (0.46) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL5352784 0.72 ALDH1A1 (0.36) KMT2AMEN1KDM4EALDH1A1HPGD
Pyrene SCHEMBL9435802 0.69 HPGD (0.59) KMT2AMEN1KDM4EALDH1A1HPGD
Pyrene SCHEMBL38210 0.69 HPGD (0.59) KMT2AMEN1KDM4EALDH1A1HPGD
Pyrene SCHEMBL30069714 0.69 HPGD (0.59) KMT2AMEN1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115315515-A Engineered GYRI-like mutein aptamers and related methods 跨界科技公司 2022-11-08 CN disclosed
WO-2021263188-A9 LIVE CELL ENGAGEMENT ASSAY ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-06-09 WO disclosed
WO-2021263188-A1 LIVE CELL ENGAGEMENT ASSAY ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-30 WO disclosed
EP-1740100-A1 XANTHENE DYES Biosearch Technologies, Inc. (US) 2007-01-10 EP disclosed
WO-2005102176-A1 XANTHENE DYES BIOSEARCH TECHNOLOGIES, INC. (US) 2005-11-03 WO disclosed