SCHEMBL23111134

SCHEMBL23111134

O=C1NCC(c2ccccc2-c2ccccc2)N1C(=O)Nc1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
PARP1 P09874 1/20 0.35
SMO Q99835 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL29662108 0.85 TP53 (0.41) TP53LMNARAB9ATAS1R3TAS1R1
SCHEMBL18447671 0.85 TP53 (0.41) TP53LMNARAB9ATAS1R3TAS1R1
SCHEMBL18447603 0.78 TAS1R3 (0.39) TP53LMNATAS1R3TAS1R1TAS1R2
SCHEMBL23111133 0.78 TAS1R3 (0.39) TP53LMNATAS1R3TAS1R1TAS1R2
SCHEMBL29662055 0.78 TAS1R3 (0.39) TP53LMNATAS1R3TAS1R1TAS1R2
SCHEMBL28860321 0.68 KDM4E (0.40) TP53LMNARAB9ATAS1R3TAS1R1
SCHEMBL23111135 0.67 KDM4E (0.39) TP53LMNARAB9ATAS1R3TAS1R1
SCHEMBL2089517 0.62 KMT2A (0.52) HTTTP53LMNARAB9AALDH1A1
SCHEMBL3032005 0.61 TP53 (0.46) TP53LMNAKDM4EALDH1A1MEN1
SCHEMBL6185781 0.61 RAB9A (0.53) HTTTP53LMNARAB9APOLB

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
EP-3328836-B1 CYCLIC N-CARBOXAMIDE COMPOUNDS USEFUL AS HERBICIDES FMC CORP (US) 2021-03-24 EP disclosed