SCHEMBL9507861

SCHEMBL9507861

CC(C)[N]C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.49
HIF1A Q16665 1/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 2/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX12 P18054 1/20 0.44
RAB9A P51151 2/20 0.44
CYP3A4 P08684 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL9507868 0.78 CES2 (0.52) ALDH1A1KMT2AMAPTKDM4EPOLB
SCHEMBL13092377 0.76 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1KMT2A
SCHEMBL30209768 0.76 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1KMT2A
SCHEMBL8196836 0.76 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1KMT2A
SCHEMBL6070552 0.75 ALDH1A1 (0.55) SMN1; SMN2TSHRCASP1ALDH1A1KMT2A
SCHEMBL6070548 0.75 ALDH1A1 (0.55) SMN1; SMN2TSHRCASP1ALDH1A1KMT2A
SCHEMBL3130853 0.74 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1KMT2A
SCHEMBL13494354 0.74 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1KMT2A
SCHEMBL9509026 0.73 ALDH1A1 (0.50) SMN1; SMN2TSHRALDH1A1KMT2AMEN1
SCHEMBL1922201 0.73 SMN1; SMN2 (0.55) SMN1; SMN2TSHRCASP1ALDH1A1KMT2A

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-0348737-B1 HETEROARYLOXY-ACETIC ACID N-ISOPROPYL ANILIDES BAYER AG (DE) 1993-08-04 EP claimed