SCHEMBL9260591

SCHEMBL9260591

NN=Cc1ccc(NC(=O)C2C[C@@H]2C(=O)Nc2ncccc2CCC(=O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAMPT P43490 7/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL6978226 1.00 MEN1 (0.34) MEN1KMT2AL3MBTL1NAMPTCYP3A4
SCHEMBL6979118 0.85 ALDH1A1 (0.33) MEN1KMT2AL3MBTL1NAMPTSMN1; SMN2
SCHEMBL6981154 0.85 KMT2A (0.43) MEN1KMT2AL3MBTL1HTTMAPT
SCHEMBL9260637 0.84 KDM4E (0.38) MEN1KMT2ANAMPTSMN1; SMN2ALDH1A1
SCHEMBL9260554 0.82 ITGB3 (0.42) PARP1PARP10
SCHEMBL9257934 0.82 ITGB3 (0.42) PARP1PARP10
SCHEMBL9425678 0.78 ITGB3 (0.42)
SCHEMBL6972945 0.76 PARP1 (0.49) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9425694 0.76 TRPM8 (0.38) MEN1KMT2AL3MBTL1NAMPTCYP3A4
Hydrochloric Acid SCHEMBL7351854 0.75 PARP1 (0.48) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1

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
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed