SCHEMBL9116300

SCHEMBL9116300

O=C(c1cnoc1C1CC1)c1ccc(F)c(F)c1CSc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.33
NR1H4 Q96RI1 5/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR1 O14842 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
SCHEMBL9115682 0.90 P2RX7 (0.33) DHODHNR1H4TAS1R3TAS1R1TAS1R2
SCHEMBL9114201 0.82 DHODH (0.33) DHODHNR1H4TAS1R3TAS1R1TAS1R2
SCHEMBL9113810 0.81 KMT2A (0.38) DHODHLMNAL3MBTL1KMT2A
SCHEMBL7575068 0.78 KMT2A (0.34) DHODHLMNAKMT2A
SCHEMBL9115628 0.78 DHODH (0.35) DHODHNR1H4TAS1R3TAS1R1TAS1R2
SCHEMBL8891005 0.77 PLA2G2A (0.36) DHODHNR1H4TAS1R3TAS1R1TAS1R2
SCHEMBL8748147 0.76 DHODH (0.33) DHODHNR1H4
SCHEMBL9114196 0.76 DHODH (0.33) DHODHTAS1R3TAS1R1TAS1R2L3MBTL1
SCHEMBL7575360 0.75 DHODH (0.34) DHODHNR1H4TAS1R3TAS1R1TAS1R2
SCHEMBL9113826 0.74 DHODH (0.38) DHODHTAS1R3TAS1R1TAS1R2

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
WO-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed