SCHEMBL31290769

SCHEMBL31290769

C=CCc1cc(N)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.41
GABRB2 P47870 5/20 0.41
IMPDH2 P12268 1/20 0.40
POLB P06746 2/20 0.35
CASP1 P29466 1/20 0.34
PRKCI P41743 1/20 0.34
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
XDH P47989 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL454406 1.00 GABRA1 (0.41) GABRA1GABRB2IMPDH2POLBCASP1
Hydrochloric Acid SCHEMBL6307100 0.98 GABRA1 (0.39) GABRA1GABRB2IMPDH2POLBCASP1
SCHEMBL1772134 0.86 GABRA1 (0.41) GABRA1GABRB2IMPDH2POLBCASP1
SCHEMBL8675958 0.86 GABRA1 (0.52) GABRA1GABRB2POLBCYP3A4TDP1
SCHEMBL5338575 0.84 GABRA1 (0.59) GABRA1GABRB2IMPDH2POLBCYP3A4
SCHEMBL5548473 0.84 GABRA1 (0.42) GABRA1GABRB2IMPDH2POLBPRKCI
SCHEMBL10599281 0.83 CYP3A4 (0.48) GABRA1GABRB2POLBCYP3A4TDP1
SCHEMBL1768780 0.83 XDH (0.48) GABRA1GABRB2POLBCYP3A4MAPT
Ethylene SCHEMBL27977906 0.82 GABRA1 (0.41) GABRA1GABRB2IMPDH2POLBPRKCI
SCHEMBL1334151 0.82 GABRA1 (0.41) GABRA1GABRB2POLBPRKCICYP3A4

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-118970072-B Integrated membrane electrode for vanadium battery and preparation method thereof 杭州德海艾科能源科技有限公司 2025-03-04 CN claimed
CN-118970072-A Integrated membrane electrode for vanadium battery and preparation method thereof 杭州德海艾科能源科技有限公司 2024-11-15 CN claimed
CN-118970072-B Integrated membrane electrode for vanadium battery and preparation method thereof 杭州德海艾科能源科技有限公司 2025-03-04 CN disclosed
CN-118970072-A Integrated membrane electrode for vanadium battery and preparation method thereof 杭州德海艾科能源科技有限公司 2024-11-15 CN disclosed