SCHEMBL27612846

SCHEMBL27612846

O=C(CCl)Nc1cccc(-c2cc(-c3cccc(-c4ccccc4)c3)no2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 5/20 0.54
MITF O75030 3/20 0.54
HTT P42858 3/20 0.54
RAB9A P51151 3/20 0.54
JAK3 P52333 2/20 0.54
LMNA P02545 1/20 0.54
PTPN1 P18031 2/20 0.53
PTPRA P18433 1/20 0.53
MAPK1 P28482 3/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
MGLL Q99685 1/20 0.46
HAVCR2 Q8TDQ0 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
SCHEMBL27594143 0.85 MAPT (0.50) ALDH1A1MAPTMITFHTTRAB9A
SCHEMBL27612593 0.84 MAPT (0.52) ALDH1A1MAPTMITFHTTRAB9A
SCHEMBL27594147 0.84 MAPT (0.60) ALDH1A1MAPTHTTRAB9AMAPK1
SCHEMBL27594145 0.84 PTPN1 (0.52) ALDH1A1MAPTMITFHTTRAB9A
SCHEMBL27594135 0.84 MAPT (0.59) ALDH1A1MAPTMITFHTTRAB9A
SCHEMBL5150428 0.84 MAPT (0.75) ALDH1A1MAPTMITFHTTRAB9A
SCHEMBL5152995 0.84 JAK3 (0.54) ALDH1A1MAPTHTTRAB9AJAK3
SCHEMBL4003283 0.82 MITF (0.72) ALDH1A1MAPTMITFHTTRAB9A
SCHEMBL27612580 0.81 MAPT (0.65) ALDH1A1MAPTMITFHTTRAB9A
SCHEMBL27612563 0.81 MAPT (0.51) ALDH1A1MAPTMITFHTTRAB9A

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
CN-1585756-A Substituted diphenyl heterocycles useful for treating HCV infection RIGEL PHARMACEUTICALS INC (US) 2005-02-23 CN disclosed