SCHEMBL9835452

SCHEMBL9835452

O=C(Cl)Nc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.61
TRPV1 Q8NER1 1/20 0.61
ALDH1A1 P00352 7/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 3/20 0.59
CYP1A2 P05177 2/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
MAPT P10636 3/20 0.58
KCNH2 Q12809 1/20 0.58
TP53 P04637 1/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL29776952 0.88 CHRNA7 (0.76) CHRNA7TRPV1ALDH1A1MEN1KMT2A
SCHEMBL20472469 0.88 CHRNA7 (0.76) CHRNA7TRPV1ALDH1A1MEN1KMT2A
SCHEMBL1013241 0.86 ALDH1A1 (0.63) CHRNA7TRPV1ALDH1A1MEN1KMT2A
SCHEMBL27322095 0.86 CHRNA7 (0.61) CHRNA7TRPV1ALDH1A1MEN1KMT2A
SCHEMBL13170074 0.85 MEN1 (0.60) CHRNA7TRPV1ALDH1A1MEN1KMT2A
SCHEMBL1091582 0.85 ALDH1A1 (0.66) CHRNA7TRPV1ALDH1A1MEN1KMT2A
SCHEMBL9835927 0.83 TMPRSS4 (0.61) CHRNA7TRPV1MEN1KMT2ATSHR
SCHEMBL4006377 0.82 ALDH1A1 (0.67) CHRNA7TRPV1ALDH1A1MEN1KMT2A
SCHEMBL7174499 0.82 ALDH1A1 (0.63) CHRNA7TRPV1ALDH1A1MEN1KMT2A
SCHEMBL10970540 0.82 CHRNA7 (0.60) CHRNA7TRPV1ALDH1A1MEN1KMT2A

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-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed