SCHEMBL9267993

SCHEMBL9267993

CC(NC(=O)COc1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
ALDH1A1 P00352 6/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
MAPT P10636 3/20 0.68
HPGD P15428 2/20 0.68
LMNA P02545 3/20 0.67
USP2 O75604 1/20 0.67
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.67
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
POLB P06746 1/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 1/20 0.61
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
PARP1 P09874 1/20 0.59

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
SCHEMBL5696772 0.91 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3968491 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3960715 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3960707 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3968494 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL5358355 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL5016632 0.79 TSHR (0.73) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL16714724 0.79 TSHR (0.73) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL25334940 0.78 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL11470219 0.78 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTHPGD

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
WO-1995029155-A1 NOVEL ANTITUMOUR COMPOUNDS WITH ANTIMITOTIC ACTIVITY PHARMACIA AB (SE) 1995-11-02 WO disclosed