SCHEMBL9873068

SCHEMBL9873068

O=C(OCCOc1ccccc1)c1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
PKM P14618 4/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.44
PARP10 Q53GL7 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
MMP1 P03956 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL9871106 0.86 ESR1 (0.57) RAB9AMAPTPKMNPC1ALDH1A1
SCHEMBL9872852 0.83 TSHR (0.37) RAB9AMAPTPKMNPC1ALDH1A1
SCHEMBL9873018 0.82 TSHR (0.42) RAB9AMAPTPKMNPC1ALDH1A1
SCHEMBL126667 0.82 PARP10 (0.45) RAB9AMAPTPKMNPC1ALDH1A1
SCHEMBL9872065 0.81 ALDH1A1 (0.53) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL3434351 0.80 RAB9A (0.69) RAB9AMAPTPKMNPC1ALDH1A1
SCHEMBL9872218 0.79 ESR1 (0.55) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL124262 0.78 CA12 (0.50) RAB9AMAPTPKMNPC1ALDH1A1
SCHEMBL13706568 0.77 POLB (0.49) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL13528086 0.77 PTGER4 (0.46) MEN1HPGDKMT2AHSD17B10

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