SCHEMBL9059722

SCHEMBL9059722

O=C(Nc1c(F)cc(F)cc1F)N(Cc1ccc(F)cc1)Cc1cccc(-c2ccn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.38
▸ EGFR P00533 6/20 0.37
▸ ERBB2 P04626 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ UBE2M P61081 1/20 0.36
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ SOAT1 P35610 1/20 0.33

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
SCHEMBL8812276 0.83 DCUN1D1 (0.43) UBE2MDCUN1D1
SCHEMBL9066708 0.78 PTGES (0.36) PTGESKDM4EALDH1A1NPSR1TRPV1
SCHEMBL8810320 0.77 PTGES (0.38) PTGESEGFRERBB2KDM4EALDH1A1
SCHEMBL8812096 0.76 ALDH1A1 (0.40) SMN1; SMN2KDM4EALDH1A1NPSR1
SCHEMBL8811464 0.76 PTGES (0.43) PTGESEGFRERBB2KDM4EALDH1A1
SCHEMBL8807676 0.70 PTGES (0.37) PTGESEGFRERBB2KDM4EROCK2
SCHEMBL27623829 0.69 MAOB (0.40) SMN1; SMN2KDM4EALDH1A1
SCHEMBL8810782 0.69 BCHE (0.37) SMN1; SMN2KDM4EALDH1A1
SCHEMBL3946590 0.66 SOAT1 (0.44) SOAT1
SCHEMBL3949700 0.65 SOAT1 (0.45) SOAT1

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
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 — — WO disclosed
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