SCHEMBL5014307

SCHEMBL5014307

OC(CC#Cc1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.60
HTR2A P28223 1/20 0.53
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
AOC3 Q16853 3/20 0.42
APP P05067 1/20 0.42
MMP13 P45452 2/20 0.41
MMP2 P08253 1/20 0.40
RIPK1 Q13546 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
SCHEMBL28864431 0.88 KMT2A (0.49) KMT2AHTR2ALMNAGRIK1GRIK2
SCHEMBL9580050 0.88 KMT2A (0.49) KMT2AHTR2ALMNACYP1A2CYP3A4
SCHEMBL28864437 0.88 KMT2A (0.49) KMT2AHTR2ALMNACYP1A2CYP3A4
SCHEMBL28864436 0.88 KMT2A (0.49) KMT2AHTR2ALMNAGRIK1GRIK2
SCHEMBL28864450 0.88 KMT2A (0.53) KMT2AHTR2ALMNAGRIK1GRIK2
SCHEMBL28864433 0.84 MMP2 (0.50) KMT2AHTR2ALMNACYP1A2CYP3A4
SCHEMBL30556469 0.84 KMT2A (0.46) KMT2AHTR2ALMNAGRIK1GRIK2
SCHEMBL30556470 0.84 HSD11B1 (0.50) KMT2AHTR2ALMNACYP1A2CYP3A4
SCHEMBL30556455 0.81 ALDH1A1 (0.53) KMT2AHTR2ALMNAKDM4E
SCHEMBL28956644 0.79 ALDH1A1 (0.52) KMT2ALMNACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197180-B Synthesis method of 3-selenofurans compound promoted by visible light 南通大学 2024-01-23 CN disclosed
CN-116574072-A Method for preparing 2, 5-diaryl substituted furan 南通大学 2023-08-11 CN disclosed
CN-115197180-A Synthesis method of visible light promoted 3-selenofuran compound 南通大学 2022-10-18 CN disclosed
US-7388101-B1 Tetrahydrofuran derivatives having cis substituent, their intermediates, and their preparation method KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-06-17 US disclosed