SCHEMBL9686173

SCHEMBL9686173

CCOCn1c(C(O)c2cc(Cl)ccc2[N+](=O)[O-])cnc1[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
PSMD14 O00487 1/20 0.35
BLM P54132 1/20 0.35
MAPT P10636 5/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 2/20 0.31
S1PR4 O95977 1/20 0.31
LMNA P02545 4/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 2/20 0.31
PTGER1 P34995 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL9684161 0.78 TSHR (0.37) KMT2ASMN1; SMN2MEN1HPGDPSMD14
SCHEMBL2616489 0.65 MAPK1 (0.39) KMT2ASMN1; SMN2HPGDMAPTLMNA
SCHEMBL316689 0.64 MAPT (0.57) KMT2ASMN1; SMN2MEN1HPGDPSMD14
SCHEMBL343287 0.63 TSHR (0.43) KMT2ASMN1; SMN2MAPTLMNAPOLB
SCHEMBL9700761 0.63 TSHR (0.49) KMT2ASMN1; SMN2MEN1HPGDPSMD14
SCHEMBL5583389 0.63 MAPK1 (0.49) KMT2ASMN1; SMN2MEN1HPGDMAPT
SCHEMBL16975561 0.63 MAPK1 (0.51) KMT2ASMN1; SMN2MEN1MAPTLMNA
SCHEMBL4715558 0.63 ALDH1A1 (0.50) KMT2ASMN1; SMN2MEN1HPGDPSMD14
SCHEMBL27382568 0.63 TSHR (0.42) KMT2ASMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL3128373 0.62 MAPK1 (0.47) KMT2ASMN1; SMN2MEN1HPGDPSMD14

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-0491218-A1 Benzodiazepinones F. HOFFMANN-LA ROCHE AG (CH) 1992-06-24 EP disclosed