SCHEMBL24256889

SCHEMBL24256889

CCCc1nc2sc(C(=O)NCCc3ccc(OCCCCc4nc5sc(C(=O)N[C@@H](C)Cc6ccc(OC)cc6)c(N)c5c5c4CCC5)c(OC)c3)c(N)c2c2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.46
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 5/20 0.42
HTT P42858 1/20 0.42
PARP1 P09874 3/20 0.41
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CHRM4 P08173 2/20 0.40
USP28 Q96RU2 2/20 0.40
USP25 Q9UHP3 2/20 0.40
FLT1 P17948 1/20 0.40
LRRK2 Q5S007 1/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.38

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
SCHEMBL24256362 0.86 HPGD (0.52) MTORLMNAHPGDSMN1; SMN2MAPT
SCHEMBL24256612 0.86 MTOR (0.60) MTORLMNAHPGDSMN1; SMN2MAPT
SCHEMBL24256908 0.86 KDM4E (0.51) LMNAHPGDSMN1; SMN2MAPTHTT
SCHEMBL24256883 0.86 KDM4E (0.51) LMNAHPGDSMN1; SMN2MAPTHTT
SCHEMBL24256707 0.85 MTOR (0.58) MTORLMNAHPGDSMN1; SMN2MAPT
SCHEMBL24256709 0.85 MTOR (0.61) MTORLMNAHPGDSMN1; SMN2MAPT
SCHEMBL24256858 0.76 MTOR (0.63) MTORLMNAHPGDSMN1; SMN2MAPT
SCHEMBL24256358 0.76 KDM4E (0.52) MTORLMNAHPGDSMN1; SMN2MAPT
SCHEMBL26780707 0.75 KDM4E (0.51) MTORLMNAHPGDMAPTHTT
SCHEMBL24256669 0.75 MTOR (0.48) MTORLMNAHPGDSMN1; SMN2MAPT

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-2022035806-A1 FUSED TRICYCLIC PYRIMIDINE-THIENO-PYRIDINE SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 WO disclosed