SCHEMBL25430620

SCHEMBL25430620

O=c1ccn(-c2nccs2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
SLC11A2 P49281 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
MPI P34949 1/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 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
SCHEMBL409135 0.77 CRBN (0.44) SLC11A2TDP1ALDH1A1KDM4EGAA
SCHEMBL8115803 0.68 SLC11A2 (0.48) SMN1; SMN2SLC11A2TDP1ALDH1A1KDM4E
SCHEMBL29150182 0.66 TDP1 (0.53) SMN1; SMN2SLC11A2TDP1ALDH1A1KDM4E
SCHEMBL565271 0.66 SMN1; SMN2 (0.53) SMN1; SMN2SLC11A2TDP1ALDH1A1KDM4E
SCHEMBL5579491 0.64 LMNA (0.53) SMN1; SMN2SLC11A2TDP1ALDH1A1KDM4E
SCHEMBL1267187 0.62 ALKBH5 (0.47) SLC11A2AKR1C3KDM4C
SCHEMBL20991749 0.62 HRH3 (0.45) SMN1; SMN2
SCHEMBL409136 0.62 TDP1 (0.38) SLC11A2TDP1ALDH1A1KDM4EGAA
SCHEMBL16794591 0.62 LMNA (0.54) SMN1; SMN2SLC11A2TDP1ALDH1A1KDM4E
SCHEMBL1245039 0.62 LMNA (0.46) SLC11A2TDP1ALDH1A1KDM4EGAA

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-2023141262-A1 BAX ACTIVATORS AND USE THEREOF IPSEN PHARMA S.A.S. (FR) 2023-07-27 WO disclosed