SCHEMBL23949896

SCHEMBL23949896

Cc1ccc(C(=O)CSc2nc[nH]n2)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 8/20 0.60
HPGD P15428 5/20 0.60
TSHR P16473 5/20 0.60
KDM4E B2RXH2 4/20 0.60
MAPT P10636 6/20 0.53
POLB P06746 4/20 0.53
LMNA P02545 6/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PIM1 P11309 1/20 0.49
GAA P10253 2/20 0.47
HTT P42858 1/20 0.46
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
PLAA Q9Y263 1/20 0.45
USP2 O75604 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL23949790 0.81 CA12 (0.48) ALDH1A1KDM4EMAPTPOLBALPL
SCHEMBL23950056 0.80 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL14027252 0.79 MAPT (0.51) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL10986702 0.79 ALDH1A1 (0.57) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL23950003 0.78 POLB (0.53) MEN1KMT2AALDH1A1HPGDTSHR
Bromide SCHEMBL10981546 0.77 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL22639759 0.77 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EMAPTSMN1; SMN2
SCHEMBL23949801 0.76 GAA (0.57) MEN1KMT2AALDH1A1HPGDMAPT
Bromide SCHEMBL11197730 0.76 ALDH1A1 (0.55) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL12934318 0.73 LMNA (0.43) MEN1KMT2AALDH1A1HPGDTSHR

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-2021209689-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING SWEET POTATO AGAINST SWEET POTATO PATHOGENIC VIRUSES HELSINGIN YLIOPISTO (FI) 2021-10-21 WO disclosed