SCHEMBL11301170

SCHEMBL11301170

Nc1cc(=O)n(-c2ccc(Cl)cc2Cl)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALOX12 P18054 2/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
TLR8 Q9NR97 1/20 0.39
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 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
SCHEMBL10387219 0.87 ALDH1A1 (0.44) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL8170428 0.77 MAPT (0.39) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL10956122 0.76 ALKBH5 (0.66) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL11620133 0.71 DAO (0.46) ALDH1A1KDM4ESMN1; SMN2CA12CA1
SCHEMBL10400766 0.71 KDM4E (0.33) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL9384017 0.69 ALDH1A1 (0.82) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4700338 0.68 HCAR1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL11619453 0.67 NOX4 (0.43) KMT2AMEN1POLBTSHR
SCHEMBL7070074 0.67 ALDH1A1 (0.69) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL3365278 0.66 MAPT (0.56) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56065875-A None JP disclosed
JP-S5665875-A PYRAZOLONE DERIVATIVE, ITS PREPARATION, AND DESTROYING AGENT FOR NOXIOUS LIVING CREATURE COMPRISING IT TOKYO ORGAN CHEM IND LTD 1981-06-03 JP disclosed