SCHEMBL9115682

SCHEMBL9115682

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
DHODH Q02127 2/20 0.32
HPGD P15428 1/20 0.32
NR1H4 Q96RI1 6/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CRHR1 P34998 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31

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
SCHEMBL9116300 0.90 DHODH (0.33) DHODHNR1H4KMT2ALMNATAS1R3
SCHEMBL7575360 0.86 DHODH (0.34) P2RX7DHODHHPGDNR1H4MEN1
SCHEMBL9117324 0.82 DHODH (0.36) P2RX7DHODHHPGDNR1H4MEN1
SCHEMBL27525840 0.81 DHODH (0.35) P2RX7DHODHHPGDNR1H4MEN1
SCHEMBL27389449 0.81 DHODH (0.35) P2RX7DHODHHPGDNR1H4MEN1
SCHEMBL9113810 0.79 KMT2A (0.38) DHODHMEN1KMT2ALMNAMAPT
SCHEMBL27308461 0.79 DHODH (0.34) P2RX7DHODHHPGDNR1H4MEN1
SCHEMBL7573455 0.79 DHODH (0.34) P2RX7DHODHHPGDNR1H4MEN1
SCHEMBL7575068 0.77 KMT2A (0.34) DHODHMEN1KMT2ALMNAMAPT
SCHEMBL9115201 0.77 DHODH (0.38) DHODHHPGDMEN1KMT2ALMNA

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