SCHEMBL10854083

SCHEMBL10854083

O=C(O)/C(Cl)=C(/Cl)C(=O)Nc1ccc2c(=O)n3c(nc2c1)/C(=C\c1cccc(C(F)(F)F)c1)CC3

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.56
▸ KMT2A Q03164 8/20 0.56
▸ NME2 P22392 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ RAB9A P51151 1/20 0.45

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
SCHEMBL10854092 1.00 MEN1 (0.56) MEN1KMT2ANME2MAPTALDH1A1
SCHEMBL10854096 1.00 MEN1 (0.56) MEN1KMT2ANME2MAPTALDH1A1
SCHEMBL10859497 0.93 MEN1 (0.60) MEN1KMT2ANME2MAPTALDH1A1
SCHEMBL10859492 0.93 MEN1 (0.60) MEN1KMT2ANME2MAPTALDH1A1
SCHEMBL10853654 0.90 MEN1 (0.62) MEN1KMT2ANME2
SCHEMBL10853628 0.90 MEN1 (0.62) MEN1KMT2ANME2
SCHEMBL10853641 0.90 MEN1 (0.62) MEN1KMT2ANME2
SCHEMBL10857181 0.90 MEN1 (0.54) MEN1KMT2ANME2
SCHEMBL10857187 0.90 MEN1 (0.54) MEN1KMT2ANME2
SCHEMBL10857176 0.90 MEN1 (0.54) MEN1KMT2ANME2

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
US-4579847-A Amino derivatives of benzylidene-pyrrolo[2,1-b]quinazolines useful for treating conditions of allergic origin FARMITALIA CARLO ERBA S.P.A. (IT) 1986-04-01 — — US disclosed
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