SCHEMBL9871669

SCHEMBL9871669

O=C(O)c1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF4E P06730 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CASP1 P29466 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MYC P01106 1/20 0.38
▸ MAX P61244 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ AKR1C3 P42330 2/20 0.36
▸ AKR1C2 P52895 2/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL2405124 0.80 NPC1 (0.47) ALDH1A1POLBMAPK1RAB9AMEN1
SCHEMBL9474889 0.77 ALDH1A1 (0.60) TDP1ALDH1A1CYP3A4ALOX15POLB
SCHEMBL29129896 0.75 ALDH1A1 (0.50) EIF4ETDP1ALDH1A1CYP3A4ALOX15
SCHEMBL9786891 0.74 HSD17B10 (0.51) TDP1ALDH1A1CYP3A4ALOX15POLB
SCHEMBL9190149 0.74 TDP1 (0.61) TDP1ALDH1A1CYP3A4ALOX15POLB
SCHEMBL30954059 0.72 ALDH1A1 (0.54) EIF4ETDP1ALDH1A1CYP3A4ALOX15
SCHEMBL27457722 0.72 ALDH1A1 (0.54) EIF4ETDP1ALDH1A1CYP3A4ALOX15
SCHEMBL9871665 0.72 KMT2A (0.56) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL9080021 0.71 TNFSF10 (0.45) ALDH1A1CYP3A4POLBRAB9AMEN1
SCHEMBL630072 0.70 MYC (0.62) TDP1ALDH1A1CYP3A4ALOX15POLB

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-5064959-A Photoinitiators HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-12 — — US disclosed
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