SCHEMBL21376579

SCHEMBL21376579

O=Cc1cccc(SN2CCCc3ccccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.38
NOTUM Q6P988 1/20 0.38
MGLL Q99685 1/20 0.37
TSHR P16473 2/20 0.36
ATM Q13315 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
AKR1C3 P42330 1/20 0.35

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
SCHEMBL21376522 0.92 ALDH1A1 (0.38) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL21376788 0.79 AKR1C3 (0.54) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23677186 0.77 ALDH1A1 (0.61) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL24286547 0.76 CYP3A4 (0.41) ALDH1A1GAASMN1; SMN2MGLLSIGMAR1
SCHEMBL21376787 0.72 AKR1C3 (0.53) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL28558981 0.72 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL21376785 0.71 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18002501 0.71 HDAC1 (0.51) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL21909800 0.70 ATM (0.44) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL18003041 0.68 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPTGAA

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-2403499-B1 METHODS AND COMPOSITIONS FOR USE IN TREATING CANCER AND REDUCING WNT MEDIATED EFFECTS IN A CELL STEMSYNERGY THERAPEUTICS INC (US) 2019-09-18 EP disclosed