SCHEMBL9017592

SCHEMBL9017592

Clc1cc(C2CC2)nc(Nc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPK1 P28482 2/20 0.50
NFKB1 P19838 1/20 0.50
LMNA P02545 2/20 0.44
NEK1 Q96PY6 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
HTT P42858 1/20 0.41
IGF1R P08069 1/20 0.40
KCNH3 Q9ULD8 3/20 0.40
SRC P12931 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
NPY5R Q15761 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL9499662 0.89 ALDH1A1 (0.49) MAPTKMT2AMEN1MAPK1NFKB1
Cyprodinil SCHEMBL29421756 0.81 TAAR1 (0.55) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL9017595 0.81 ALDH1A1 (0.42) MAPTKMT2AMEN1MAPK1NFKB1
Cyprodinil SCHEMBL22669 0.81 TAAR1 (0.55) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL3241000 0.81 MAPT (0.67) MAPTKMT2AMEN1MAPK1NFKB1
Cyprodinil SCHEMBL12471945 0.80 SMN1; SMN2 (0.54) MAPTKMT2AMEN1MAPK1LMNA
SCHEMBL9499283 0.79 KCNH3 (0.41) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL9501015 0.79 KCNH3 (0.41) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL9501348 0.79 ALDH1A1 (0.44) MAPTKMT2AMEN1MAPK1NFKB1
SCHEMBL9499269 0.79 RECQL (0.45) MAPTKMT2AMEN1MAPK1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388838-B1 Parasiticide CIBA GEIGY AG (CH) 1996-01-10 EP disclosed
US-5075316-A For plants CIBA-GEIGY CORPORATION (US) 1991-12-24 US disclosed
EP-0388838-A2 Parasiticide CIBA-GEIGY AG (CH) 1990-09-26 EP disclosed