SCHEMBL29426296

SCHEMBL29426296

Cn1cc(C(=O)CC#N)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
LMNA P02545 2/20 0.66
MITF O75030 1/20 0.66
MAPT P10636 1/20 0.66
KMT2A Q03164 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
NR4A2 P43354 1/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.54
IMPDH2 P12268 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
HK1 P19367 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
TSHR P16473 2/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL20838602 1.00 ALDH1A1 (0.66) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL1856487 0.82 NR4A2 (0.59) ALDH1A1LMNAMAPTKMT2ANR4A2
SCHEMBL28709465 0.81 CNR2 (0.62)
SCHEMBL4106159 0.81 KMT2A (0.73) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL3596733 0.80 KCNH2 (0.48) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL28706588 0.80 CNR2 (0.68)
SCHEMBL27249798 0.80 ALDH1A1 (0.71) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL21282646 0.80 LMNA (0.71) ALDH1A1LMNAMITFMAPTKMT2A
SCHEMBL14745414 0.80 LMNA (0.71) ALDH1A1LMNAMITFMAPTKMT2A
Benzene SCHEMBL5539349 0.78 LMNA (0.97) ALDH1A1LMNAMITFMAPTKMT2A

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-114213398-B Preparation method of polysubstituted furan derivative, bactericide and application 湖北省生物农药工程研究中心 2024-04-16 CN claimed
CN-114213398-A Preparation method of polysubstituted furan derivative, bactericide and application 湖北省生物农药工程研究中心 2022-03-22 CN claimed
CN-114213398-B Preparation method of polysubstituted furan derivative, bactericide and application 湖北省生物农药工程研究中心 2024-04-16 CN disclosed
CN-114213398-A Preparation method of polysubstituted furan derivative, bactericide and application 湖北省生物农药工程研究中心 2022-03-22 CN disclosed