SCHEMBL11566313

SCHEMBL11566313

Cc1sc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc1C(=N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RAB9A P51151 7/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 5/20 0.38
PKM P14618 2/20 0.38
ALOX5 P09917 1/20 0.36
GSTO1 P78417 1/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.34
XIAP P98170 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNN4 O15554 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11373714 0.79 MEN1 (0.39) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL11376524 0.79 MEN1 (0.39) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL7766334 0.77 MEN1 (0.38) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL7766325 0.77 MEN1 (0.38) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL11566842 0.75 GAA (0.51) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL7763018 0.74 MEN1 (0.47) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL7763022 0.74 MEN1 (0.47) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL7763012 0.74 MEN1 (0.47) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL1686728 0.73 ALDH1A1 (0.33) MEN1KMT2ARAB9AALDH1A1LMNA
SCHEMBL17706023 0.73 NPC1 (0.39) MEN1KMT2ARAB9AALDH1A1LMNA

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-0002765-A1 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions and their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-11 EP disclosed