SCHEMBL25658374

SCHEMBL25658374

CC(=O)c1ccc(C(=O)N2CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SCN7A Q01118 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ SCN9A Q15858 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ L3MBTL3 Q96JM7 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.47
▸ PRKAA2 P54646 2/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PRKAG3 Q9UGI9 1/20 0.47
▸ PRKAG2 Q9UGJ0 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL25498357 0.84 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1L3MBTL3HPGDPRKAA2
SCHEMBL12286062 0.82 TDP1 (0.60) SMN1; SMN2SCN7AKCNH2SCN9AL3MBTL1
SCHEMBL20750490 0.79 CCNC (0.47) SMN1; SMN2SCN7AKCNH2SCN9AL3MBTL1
SCHEMBL20803928 0.78 SCN9A (0.48) SMN1; SMN2SCN7AKCNH2SCN9AL3MBTL1
SCHEMBL30863972 0.76 GRM5 (0.55) SMN1; SMN2L3MBTL1HPGDSIGMAR1MKNK1
SCHEMBL4935859 0.76 MAPT (0.51) SMN1; SMN2KCNH2HRH3ALDH1A1MAPT
SCHEMBL1430481 0.76 GRM5 (0.55) SMN1; SMN2L3MBTL1HPGDSIGMAR1MKNK1
SCHEMBL24967911 0.75 SCN9A (0.60) SCN7AKCNH2SCN9AL3MBTL1
SCHEMBL26421763 0.75 SIGMAR1 (0.50) SMN1; SMN2HPGDSIGMAR1MKNK1MKNK2
SCHEMBL8253628 0.75 SIGMAR1 (0.57) SMN1; SMN2KCNH2L3MBTL1HPGDSIGMAR1

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-2023086399-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. (US) 2023-05-19 — — WO disclosed
Send feedback