SCHEMBL29503544

SCHEMBL29503544

C=Cc1ccnc(C=C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HDAC8 Q9BY41 3/20 0.38
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.35
MAP3K14 Q99558 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
TRPA1 O75762 1/20 0.31

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
SCHEMBL1655827 1.00 ALDH1A1 (0.39) ALDH1A1HDAC8TP53TDP1TSHR
SCHEMBL21327710 0.85 ALDH1A1 (0.35) ALDH1A1HDAC8TP53TDP1TSHR
SCHEMBL29163627 0.85 ALDH1A1 (0.35) ALDH1A1HDAC8TP53TDP1TSHR
SCHEMBL30786154 0.85 ALDH1A1 (0.34) ALDH1A1HDAC8TSHRMAP3K14CYP3A4
SCHEMBL27845898 0.81 HDAC8 (0.36) HDAC8MAP3K14CYP3A4CYP2D6PSEN1
SCHEMBL10767296 0.81 HDAC3 (0.33) ALDH1A1HDAC8TP53TDP1MEN1
SCHEMBL18036717 0.80 KDM4E (0.48) ALDH1A1HDAC8TSHRMEN1NPC1
SCHEMBL6883985 0.78 MEN1 (0.56) ALDH1A1HDAC8TSHRMEN1NPC1
SCHEMBL29625350 0.78 CCR1 (0.42) ALDH1A1HDAC8TP53TDP1TSHR
SCHEMBL16682444 0.78 CCR1 (0.42) ALDH1A1HDAC8TP53TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119161532-A High-temperature-resistant salt-resistant cross-linked hydrophobic polymer and preparation method and application thereof 中国石油化工股份有限公司 2024-12-20 CN claimed
CN-114324320-A Efficient and recyclable pH test paper and preparation method thereof 浙江正信石油科技有限公司 2022-04-12 CN claimed
CN-120118238-A Narrow-band luminous microsphere and preparation method thereof 海南大学 2025-06-10 CN disclosed
CN-119161532-A High-temperature-resistant salt-resistant cross-linked hydrophobic polymer and preparation method and application thereof 中国石油化工股份有限公司 2024-12-20 CN disclosed
CN-114324320-B Efficient and recyclable pH test paper and preparation method thereof 浙江正信石油科技有限公司 2024-08-13 CN disclosed
CN-118359751-A Polymer microsphere using aromatic compound as stabilizer and preparation method thereof 海南大学 2024-07-19 CN disclosed
CN-114324320-A Efficient and recyclable pH test paper and preparation method thereof 浙江正信石油科技有限公司 2022-04-12 CN disclosed