SCHEMBL24124767

SCHEMBL24124767

CN1C(=O)CSc2ccc(C(=O)Nc3ccc([S+]([O-])N4CCCCC4)cc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ ESR1 P03372 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ HTT P42858 3/20 0.48
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ MAPK1 P28482 6/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL30270587 0.82 CYP1A2 (0.58) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL25921866 0.82 CYP1A2 (0.58) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL24124186 0.81 MAPT (0.57) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL24124898 0.81 MAPT (0.57) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL24124676 0.81 MAPT (0.55) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL24124884 0.80 MAPT (0.64) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL25920636 0.79 MAPT (0.60) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL24124188 0.79 MAPT (0.62) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL24124800 0.76 MAPT (0.62) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL25921176 0.76 CNR2 (0.52) MAPTMEN1KMT2ALMNAPOLB

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-2021257544-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-23 — — WO disclosed
Send feedback