SCHEMBL11297176

SCHEMBL11297176

CC(=O)Nc1ccc(OP(=S)(Oc2ccc(NC(C)=O)cc2)Oc2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
MEN1 O00255 5/20 0.67
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 3/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 2/20 0.53
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52
NR1I2 O75469 1/20 0.52

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
SCHEMBL8611481 0.83 MEN1 (0.63) KMT2AMEN1NPSR1TDP1LMNA
SCHEMBL2340576 0.81 MEN1 (0.61) KMT2AMEN1NPSR1TDP1LMNA
SCHEMBL18154535 0.81 TSHR (0.54) KMT2AMEN1NPSR1CA1CA2
SCHEMBL14808444 0.80 KMT2A (1.00) KMT2AMEN1NPSR1TDP1LMNA
Diacetamate SCHEMBL863106 0.79 KMT2A (0.81) KMT2AMEN1NPSR1TDP1LMNA
SCHEMBL6516221 0.78 KMT2A (0.73) KMT2AMEN1NPSR1TDP1LMNA
SCHEMBL1403606 0.77 MEN1 (0.56) KMT2AMEN1NPSR1TDP1LMNA
SCHEMBL18154533 0.77 SMN1; SMN2 (0.55) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL861674 0.77 SMN1; SMN2 (0.84) KMT2AMEN1TDP1SMN1; SMN2HTT
SCHEMBL171415 0.76 SMN1; SMN2 (0.73) KMT2AMEN1TDP1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113150029-B Preparation method of thiophosphoric acid tri (4-aminophenyl) ester 台州达辰药业有限公司 2022-03-18 CN claimed
US-4279838-A HYDROLYZING AN N-ACETYLAMINOARYL THIOPHOSPHATE OR PHOSPHATE MITSUI TOATSU CHEMICALS INC. (JP) 1981-07-21 US claimed
CN-113150029-B Preparation method of thiophosphoric acid tri (4-aminophenyl) ester 台州达辰药业有限公司 2022-03-18 CN disclosed
CN-113150029-A Preparation method of thiophosphoric acid tri (4-aminophenyl) ester 台州达辰药业有限公司 2021-07-23 CN disclosed
US-4279838-A HYDROLYZING AN N-ACETYLAMINOARYL THIOPHOSPHATE OR PHOSPHATE MITSUI TOATSU CHEMICALS INC. (JP) 1981-07-21 US disclosed
US-4256672-A REACTING PHOSPHORUS OXYCHLORIDE OR PHOSPHORUS THIOCHLORIDE WITH AN AMINO-SUBSTUTUTED PHENOL COMPOUND MITSUI TOATSU CHEMICALS, INC. (JP) 1981-03-17 US disclosed