SCHEMBL9237286

SCHEMBL9237286

COC(=O)CCc1ccc(NC(=O)c2ccc(CCl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
NR1H4 Q96RI1 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CCR5 P51681 5/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
EPHX2 P34913 1/20 0.48
HDAC1 Q13547 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN11 Q06124 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL5567796 0.85 ADRB2 (0.51) LMNAMAPTALDH1A1EPHX2POLB
Hydrochloric Acid SCHEMBL9232743 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NR1H4LMNAMAPTKDM4E
SCHEMBL2021051 0.83 MEN1 (0.57) SMN1; SMN2NR1H4LMNAKDM4ENPC1
SCHEMBL21674204 0.83 MEN1 (0.57) SMN1; SMN2NR1H4LMNAKDM4ENPC1
SCHEMBL9238331 0.83 MLYCD (0.53) SMN1; SMN2NR1H4LMNAMAPTKDM4E
SCHEMBL9237156 0.83 KMT2A (0.57) SMN1; SMN2NR1H4LMNAMAPTKDM4E
SCHEMBL2894685 0.82 NPC1 (0.65) SMN1; SMN2LMNAMAPTKDM4ENPC1
SCHEMBL4050326 0.81 NPC1 (0.76) SMN1; SMN2LMNAMAPTKDM4ENPC1
SCHEMBL20709767 0.79 RAB9A (0.73) SMN1; SMN2LMNAMAPTKDM4ENPC1
SCHEMBL12440876 0.79 NR1H4 (0.62) SMN1; SMN2NR1H4LMNAKDM4ENPC1

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
EP-0638553-A1 Carboxylic acid amides having a terminal carboxylic acid group as aggregation inhibiting drugs Dr. Karl Thomae GmbH (DE) 1995-02-15 EP disclosed