SCHEMBL9503789

SCHEMBL9503789

FC(F)(F)c1cccc(Cl)c1.O=C(NC(=O)c1ccccc1F)Nc1ccc(S)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
PPIA P62937 1/20 0.47
TLR8 Q9NR97 3/20 0.47
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR1 P21554 1/20 0.43
GRIK1 P39086 1/20 0.43
P2RX1 P51575 2/20 0.43
P2RX7 Q99572 2/20 0.43
SLC2A1 P11166 1/20 0.43
P2RX4 Q99571 1/20 0.43

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
SCHEMBL9506687 0.91 TDP1 (0.56) RAB9ANPC1RXFP1MEN1KMT2A
SCHEMBL9504693 0.89 IL2 (0.52) RAB9ANPC1TLR8MEN1KMT2A
SCHEMBL9505640 0.88 TRPV1 (0.50) TRPV1RAB9ANPC1PPIARXFP1
SCHEMBL9506643 0.81 RXFP1 (0.49) TRPV1RAB9ANPC1RXFP1MEN1
SCHEMBL11141981 0.81 MEN1 (0.59) TRPV1RAB9ANPC1TLR8MEN1
SCHEMBL9504696 0.77 MEN1 (0.49) TRPV1TLR8RXFP1MEN1KMT2A
SCHEMBL17664286 0.76 MEN1 (0.70) RAB9ANPC1TLR8RXFP1MEN1
Dimethylamine SCHEMBL9686168 0.75 NPC1 (0.65) RAB9ANPC1PPIAMEN1KMT2A
SCHEMBL22092991 0.74 GPR27 (0.62) TRPV1RAB9ANPC1MEN1KMT2A
SCHEMBL27395783 0.73 TRPV1 (0.39) TRPV1RAB9ARXFP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318882-B1 (THIO)BENZOYL UREAS, FUNCTIONAL DERIVATIVES, PROCESS FOR THEIR PREPARATION, COMPOSITIONS AND PESTICIDAL USE HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-23 EP claimed
US-4954529-A MITICIDES, INSECTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-04 US claimed
US-4966902-A INSECTICIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed
US-4954529-A MITICIDES, INSECTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-04 US disclosed