SCHEMBL31613086

SCHEMBL31613086

O=C(O)c1ccsc1B(O)O.[Ir]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPRB P23467 1/20 0.43
PTPN6 P29350 1/20 0.43
POLB P06746 1/20 0.43
NR4A1 P22736 1/20 0.43
RECQL P46063 1/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 2/20 0.40
GLA P06280 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 2/20 0.36
CYP1A2 P05177 2/20 0.36
LMNA P02545 2/20 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
SCHEMBL3961199 0.98 MEN1 (0.44) MEN1KMT2AMAPTPTPN2PTPRB
SCHEMBL3788448 0.79 PTK2 (0.38) MEN1KMT2AMAPTPTPN2PTPRB
SCHEMBL14645263 0.75 KMT2A (0.49) MEN1KMT2APOLBTDP1ALDH1A1
SCHEMBL26054500 0.75 ALDH1A1 (0.37) MEN1KMT2AMAPTPOLBNR4A1
SCHEMBL29952204 0.71 TSHR (0.50) MEN1KMT2AMAPTPOLBRECQL
SCHEMBL29956709 0.71 ABCC1 (0.42) MAPTTDP1ALDH1A1MAPK1KDM4E
SCHEMBL15276735 0.70 MEN1 (0.50) MEN1KMT2AMAPTPTPN2PTPRB
SCHEMBL1696919 0.70 KMT2A (0.54) KMT2AALDH1A1GLAGAAHPGD
SCHEMBL5150855 0.69
SCHEMBL69159 0.69 ALDH1A1 (0.58) MEN1KMT2AMAPTPTPN2PTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120126950-A Preparation method of coconut shell-based hard carbon negative electrode material 浙江领亿新能源科技有限公司 2025-06-10 CN claimed
CN-120126950-A Preparation method of coconut shell-based hard carbon negative electrode material 浙江领亿新能源科技有限公司 2025-06-10 CN disclosed