SCHEMBL8411656

SCHEMBL8411656

CCN1C(N2CCN(c3ccc(F)cc3)CC2)C(O)c2c(OC)cccc2S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL8413103 0.94 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AATMALDH1A1
SCHEMBL8413573 0.89 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AATMALDH1A1
SCHEMBL8413001 0.82 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AATMALDH1A1
SCHEMBL8413640 0.82 MEN1 (0.43) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL8413423 0.81 HTR7 (0.43) L3MBTL1MEN1KMT2AATMKDM4E
SCHEMBL8412352 0.79 CYP2D6 (0.47) KMT2AALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL8410173 0.77 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AATMALDH1A1
SCHEMBL8410491 0.76 TP53 (0.40) MAPTLMNASMN1; SMN2HTR1AADRA2A
SCHEMBL8412349 0.76 L3MBTL1 (0.42) L3MBTL1MEN1KMT2AATMALDH1A1
SCHEMBL8412330 0.76 TYR (0.41) L3MBTL1KMT2AALDH1A1MAPTKDM4E

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-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed