SCHEMBL27956685

SCHEMBL27956685

O=P(OCc1ccccc1)(c1ccccc1)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALPG P10696 1/20 0.41
▸ PTK2B Q14289 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CETP P11597 3/20 0.38
▸ PDPK1 O15530 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SRC P12931 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA5A P35218 1/20 0.34

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
SCHEMBL389123 0.82 TSHR (0.61) TSHRMEN1KMT2AALPGPTK2B
SCHEMBL28104834 0.81 TSHR (0.59) TSHRMEN1KMT2AALPGPTK2B
SCHEMBL27956679 0.81 TSHR (0.47) TSHRMEN1KMT2AALPGPTK2B
SCHEMBL28519668 0.80 TSHR (0.50) TSHRMEN1KMT2ACETPPDPK1
SCHEMBL28519236 0.78 MEN1 (0.49) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL27956676 0.73 MEN1 (0.51) TSHRMEN1KMT2AL3MBTL1TDP1
SCHEMBL28449328 0.71 KMT2A (0.49) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL28897993 0.71 APP (0.50) TSHRMEN1KMT2AL3MBTL1CETP
SCHEMBL28454755 0.71 MEN1 (0.53) TSHRMEN1KMT2AL3MBTL1CETP
SCHEMBL28453734 0.71 KMT2A (0.49) TSHRMEN1KMT2AL3MBTL1TDP1

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
CN-103980306-A Preparation method for hypophosphorous acid / phosphorous acid/ phosphate compounds by adopting P(O)-OH-contained compounds UNIV HUNAN 2014-08-13 — — CN disclosed
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