SCHEMBL10414788

SCHEMBL10414788

O=C(COc1ccccc1)N[C](c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
GAA P10253 2/20 0.58
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ALPL P05186 1/20 0.57
ALPI P09923 1/20 0.57
ALPG P10696 1/20 0.57
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.55
MAPT P10636 1/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MLYCD O95822 1/20 0.49

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
SCHEMBL10903296 0.87 KMT2A (0.67) ALDH1A1GAAKMT2AMEN1ALPL
SCHEMBL9344656 0.86 ALDH1A1 (0.72) ALDH1A1GAAKMT2AMEN1ALPL
SCHEMBL10964144 0.79 KMT2A (0.57) ALDH1A1GAAKMT2AMEN1ALPL
SCHEMBL6186553 0.77 KMT2A (0.56) ALDH1A1GAAKMT2AMEN1ALPL
SCHEMBL27711498 0.77 ALDH1A1 (0.57) ALDH1A1GAAKMT2AMEN1ALPL
SCHEMBL216783 0.77 KMT2A (0.65) GAAKMT2AMEN1ALPLALPI
SCHEMBL11263407 0.76 KMT2A (0.54) ALDH1A1GAAKMT2AMEN1ALPL
SCHEMBL2858346 0.76 PKM (0.63) ALDH1A1GAAKMT2AMEN1ALPL
SCHEMBL14336397 0.76 GAA (0.64) ALDH1A1GAAKMT2AMEN1ALPL
SCHEMBL11058212 0.76 KMT2A (0.62) ALDH1A1GAAKMT2AMEN1ALPL

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
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 US disclosed