SCHEMBL29409934

SCHEMBL29409934

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TLR8 Q9NR97 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
KAT6A Q92794 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
P2RX1 P51575 1/20 0.40
P2RX7 Q99572 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL22204031 0.94 TRPV1 (0.42) TRPV1SMN1; SMN2TLR8MEN1KMT2A
SCHEMBL1766615 0.92 SMN1; SMN2 (0.46) TRPV1SMN1; SMN2TLR8TDP1KDM4E
SCHEMBL29409940 0.91 MEN1 (0.49) TRPV1SMN1; SMN2TLR8MEN1KMT2A
SCHEMBL22204025 0.91 MEN1 (0.43) TRPV1SMN1; SMN2TLR8MEN1KMT2A
SCHEMBL1767299 0.90 MEN1 (0.53) SMN1; SMN2MEN1KMT2ALMNANPC1
SCHEMBL22204017 0.90 LMNA (0.41) TRPV1SMN1; SMN2TLR8MEN1KMT2A
SCHEMBL22204020 0.89 GAA (0.41) TRPV1SMN1; SMN2TLR8MEN1KMT2A
SCHEMBL22204035 0.88 PARP1 (0.41) TRPV1SMN1; SMN2TLR8MEN1KMT2A
SCHEMBL22204034 0.87 KCNJ11 (0.41) TRPV1SMN1; SMN2TLR8MEN1KMT2A
SCHEMBL1766695 0.87 SMN1; SMN2 (0.44) TRPV1SMN1; SMN2TLR8TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109068655-B Pesticidal active mixtures of tioxazafen 巴斯夫欧洲公司 2022-05-03 CN disclosed
EP-3205642-B1 ANILINE INTERMEDIATE FOR THE PREPARATION OF AN AMIDE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE AMIDE DERIVATIVE. MITSUI CHEMICALS AGRO INC (JP) 2022-03-23 EP disclosed