SCHEMBL18504448

SCHEMBL18504448

O=C(NBr)c1cccc(SC(F)F)c1COc1ccn(O)n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18504833 0.92 LIG1 (0.32) NR1H4MEN1KMT2AATM
SCHEMBL18504846 0.91 NR1H4 (0.31) NR1H4MEN1KMT2A
SCHEMBL18504991 0.89 NR1H4 (0.33) NR1H4MEN1KMT2A
SCHEMBL22564194 0.89 NPC1 (0.32) NR1H4MEN1KMT2AMAPTTHRB
SCHEMBL18504623 0.88 NR1H4 (0.36) NR1H4MEN1KMT2ATHRBRAB9A
SCHEMBL18504243 0.88 POLB (0.37) NR1H4MEN1KMT2ASMN1; SMN2
SCHEMBL18504560 0.87 MEN1 (0.32) NR1H4MEN1KMT2A
SCHEMBL18504351 0.87 NR1H4 (0.33) NR1H4MEN1KMT2A
SCHEMBL18504778 0.86
SCHEMBL18504863 0.85 RXFP1 (0.33)

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-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed