SCHEMBL9300675

SCHEMBL9300675

O=C(NC(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.74
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
PYGL P06737 1/20 0.59
KCNMA1 Q12791 1/20 0.57
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
GRIK1 P39086 1/20 0.54
ALDH1A1 P00352 1/20 0.53
KCNH2 Q12809 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL8819672 0.87 MEN1 (0.82) EPHX1MEN1KMT2AKCNMA1NPC1
SCHEMBL8370737 0.87 KCNMA1 (0.78) EPHX1MEN1KMT2AKCNMA1NPC1
Iodide SCHEMBL30758629 0.86 MEN1 (0.80) EPHX1MEN1KMT2AKCNMA1NPC1
SCHEMBL7675947 0.79 GRIK1 (0.74) MEN1KMT2ANPC1RAB9AGRIK1
SCHEMBL1514883 0.78 MEN1 (0.62) EPHX1MEN1KMT2ANPC1RAB9A
SCHEMBL1514588 0.78 ALDH1A1 (0.67) EPHX1MEN1KMT2AGRIK1ALDH1A1
SCHEMBL10869948 0.78 NPC1 (0.77) EPHX1MEN1KMT2APYGLNPC1
SCHEMBL28964624 0.76 RAB9A (0.60) EPHX1MEN1KMT2AKCNMA1NPC1
SCHEMBL7549604 0.76 GRIK1 (0.78) MEN1KMT2ANPC1RAB9AGRIK1
SCHEMBL3793263 0.76 KCNMA1 (0.76) EPHX1MEN1KMT2AKCNMA1NPC1

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-5288756-A Pesticides, miticides, larvicides; nontoxic to warm blood animals CIBA-GEIGY CORPORATION (US) 1994-02-22 US disclosed