SCHEMBL31434864

SCHEMBL31434864

CCO[Si](CCCn1nnnc1-c1ccc(-c2nnnn2CCC[Si](OCC)(OCC)OCC)cc1)(OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 2/20 0.41
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
P2RX7 Q99572 2/20 0.39
SLC6A3 Q01959 3/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.35

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
SCHEMBL22205101 0.96 ALDH1A1 (0.49) ALDH1A1POLBHTTCYP1A2MEN1
SCHEMBL31434890 0.94 ALDH1A1 (0.50) ALDH1A1POLBHTTCYP1A2MEN1
SCHEMBL22205123 0.93 ALDH1A1 (0.57) ALDH1A1POLBHTTCYP1A2MEN1
SCHEMBL31434892 0.89 CYP1A2 (0.53) ALDH1A1POLBHTTCYP1A2MEN1
SCHEMBL31434878 0.88 ALDH1A1 (0.42) ALDH1A1POLBHTTCYP1A2MEN1
SCHEMBL31434847 0.83 ALDH1A1 (0.41) ALDH1A1POLBHTTCYP1A2MEN1
SCHEMBL22205178 0.81 MAPK1 (0.45) ALDH1A1HTTCYP1A2MEN1CYP2C19
SCHEMBL22205119 0.78 CYP1A2 (0.46) ALDH1A1HTTCYP1A2CYP2C19KMT2A
SCHEMBL23071483 0.78 ALDH1A1 (0.60) ALDH1A1POLBHTTCYP1A2MEN1
SCHEMBL31434861 0.77 HTT (0.36) ALDH1A1HTTMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025047447-A1 TETRAZOLE COMPOUND, METHOD FOR SYNTHESIZING SAID TETRAZOLE COMPOUND, AND USE THEREOF 四国化成工業株式会社 2025-03-06 WO disclosed