SCHEMBL28830766

SCHEMBL28830766

C=Cc1c(C)ccc(C#N)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
PGR P06401 1/20 0.30
AR P10275 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8458204 0.77 ESR1 (0.33) TSHRKDM4EMEN1KMT2AALDH1A1
SCHEMBL5928567 0.77 IMPDH2 (0.50) KDM4EALDH1A1MAPTIMPDH2IMPDH1
SCHEMBL17570552 0.74 TSHR (0.46) TSHRKDM4EHPGDMEN1KMT2A
SCHEMBL4743281 0.73 TSHR (0.44) TSHRKDM4EHPGDMEN1KMT2A
SCHEMBL10766410 0.73 TSHR (0.44) TSHRKDM4EHPGDMEN1KMT2A
SCHEMBL29913598 0.73 TSHR (0.44) TSHRKDM4EHPGDMEN1KMT2A
SCHEMBL12978557 0.71 ALDH1A1 (0.37) TSHRALDH1A1CYP1A2
SCHEMBL5398018 0.71 ALDH1A1 (0.33) TSHRHPGDMEN1KMT2AALDH1A1
SCHEMBL5257630 0.70 AR (0.33) TSHRKDM4EMEN1KMT2AALDH1A1
SCHEMBL23652675 0.70 KDM4E (0.34) KDM4EHPGDMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956672-B Semi-flexible asphalt and preparation method thereof 山东华辰路桥有限公司 2023-08-18 CN claimed
CN-116515311-A Preparation method of semi-flexible asphalt 王志方 2023-08-01 CN claimed
CN-114956672-A Semi-flexible asphalt and preparation method thereof 王志方 2022-08-30 CN claimed
CN-114956672-B Semi-flexible asphalt and preparation method thereof 山东华辰路桥有限公司 2023-08-18 CN disclosed
CN-114956672-B Semi-flexible asphalt and preparation method thereof 山东华辰路桥有限公司 2023-08-18 CN disclosed
CN-116515311-A Preparation method of semi-flexible asphalt 王志方 2023-08-01 CN disclosed
CN-116515311-A Preparation method of semi-flexible asphalt 王志方 2023-08-01 CN disclosed
CN-114956672-A Semi-flexible asphalt and preparation method thereof 王志方 2022-08-30 CN disclosed
CN-114956672-A Semi-flexible asphalt and preparation method thereof 王志方 2022-08-30 CN disclosed