SCHEMBL11297174

SCHEMBL11297174

CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)Sc2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
HSD17B10 Q99714 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 5/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.46
CA12 O43570 1/20 0.46
BRD4 O60885 1/20 0.46
NR1I2 O75469 1/20 0.46

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 0.81 MEN1 (0.63) MEN1KMT2ANPSR1TDP1LMNA
SCHEMBL2340576 0.80 MEN1 (0.61) MEN1KMT2ANPSR1TDP1LMNA
SCHEMBL10876641 0.78 SMN1; SMN2 (0.52) MEN1KMT2ATDP1SMN1; SMN2HSD17B10
SCHEMBL11297176 0.76 KMT2A (0.67) MEN1KMT2ANPSR1TDP1LMNA
SCHEMBL1403606 0.75 MEN1 (0.56) MEN1KMT2ANPSR1TDP1LMNA
SCHEMBL23098267 0.74 HSD17B10 (0.56) MEN1KMT2ATDP1LMNACYP1A2
SCHEMBL10926166 0.73 NPC1 (0.59) MEN1KMT2ANPSR1TDP1LMNA
SCHEMBL10933206 0.73 SMN1; SMN2 (0.50) MEN1KMT2ANPSR1TDP1SMN1; SMN2
SCHEMBL11227392 0.73 KMT2A (0.59) MEN1KMT2ANPSR1TDP1LMNA
SCHEMBL11374622 0.73 CYP3A4 (0.59) MEN1KMT2ANPSR1LMNAGAA

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
US-4279838-A HYDROLYZING AN N-ACETYLAMINOARYL THIOPHOSPHATE OR PHOSPHATE MITSUI TOATSU CHEMICALS INC. (JP) 1981-07-21 US claimed
US-4279838-A HYDROLYZING AN N-ACETYLAMINOARYL THIOPHOSPHATE OR PHOSPHATE MITSUI TOATSU CHEMICALS INC. (JP) 1981-07-21 US disclosed