SCHEMBL8700089

SCHEMBL8700089

C[C](c1ccc(Cl)cc1Cl)[C@@](N)(O)Cn1cncn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 3/20 0.46
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
GABRA1 P14867 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
CYP19A1 P11511 2/20 0.40
HSP90AA1 P07900 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL11115482 0.75 LMNA (0.53) LMNAPKMALDH1A1CYP3A4KMT2A
SCHEMBL8700091 0.75 CYP3A4 (0.46) LMNAPKMALDH1A1CYP3A4KMT2A
SCHEMBL17030439 0.74 CYP3A4 (0.53) LMNAPKMALDH1A1CYP3A4KMT2A
SCHEMBL10807398 0.74 KMT2A (0.45) LMNAPKMALDH1A1CYP3A4KMT2A
SCHEMBL18077304 0.74 KMT2A (0.51) LMNAPKMALDH1A1CYP3A4KMT2A
SCHEMBL8057057 0.74 CYP3A4 (0.59) LMNAPKMALDH1A1CYP3A4KMT2A
SCHEMBL11046764 0.74 LMNA (0.51) LMNAPKMALDH1A1CYP3A4KMT2A
SCHEMBL11046029 0.74 KMT2A (0.52) LMNAPKMALDH1A1CYP3A4KMT2A
SCHEMBL9852718 0.73 CYP3A4 (0.48) LMNAPKMALDH1A1CYP3A4KMT2A
SCHEMBL9302133 0.72 CYP3A4 (0.51) LMNAPKMALDH1A1CYP3A4KMT2A

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-5760245-A FUNGICIDES J. URIACH & CIA S.A. (ES) 1998-06-02 US disclosed