SCHEMBL9834668

SCHEMBL9834668

O=C(Cl)Nc1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
KDM1A O60341 2/20 0.41
PTGFR P43088 1/20 0.40
MPO P05164 1/20 0.39
HTT P42858 4/20 0.38
LMNA P02545 3/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
KDR P35968 1/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL38658497 0.83 ALDH1A1 (0.54) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2359710 0.83 ALDH1A1 (0.54) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL20560635 0.81 RAB9A (0.49) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL10421832 0.81 RAB9A (0.42) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL15682835 0.80 RAB9A (0.41) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL8416977 0.79 HTT (0.45) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL31642971 0.78 KMT2A (0.48) MAPTALDH1A1MEN1KMT2A
SCHEMBL1242300 0.78 GPR35 (0.51) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL31128806 0.78 TDP1 (0.43) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL20560335 0.77 NPC1 (0.59) RAB9ASMN1; SMN2MAPTTP53KDM4E

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