SCHEMBL11228340

SCHEMBL11228340

O/N=C(/c1ccc(Cl)cc1Cl)n1cncn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
GABRA1 P14867 1/20 0.51
TSHR P16473 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
CYP19A1 P11511 2/20 0.51
LMNA P02545 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 1/20 0.46
PKM P14618 2/20 0.45
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
HSP90AA1 P07900 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11228351 1.00 ALDH1A1 (0.51) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL11432191 0.77 ALDH1A1 (0.51) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL11380534 0.75 ALDH1A1 (0.50) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL10529985 0.74 CYP19A1 (0.61) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL10468433 0.73 LMNA (0.60) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL10468434 0.73 LMNA (0.60) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL10824908 0.72 ALDH1A1 (0.50) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL11444690 0.72 CYP19A1 (0.47) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL9854150 0.71 CYP19A1 (0.47) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL10923584 0.71 CYP19A1 (0.47) ALDH1A1MAPTHPGDCYP1A2CYP3A4

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-4359469-A Combating pests with N-sulphenylated oxime-carbamates BAYER AKTIENGESELLSCHAFT (DE) 1982-11-16 US disclosed