SCHEMBL6677407

SCHEMBL6677407

Cc1cc(-c2ccccc2)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 3/20 0.51
RXFP1 Q9HBX9 2/20 0.51
HTT P42858 2/20 0.51
ABCG2 Q9UNQ0 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
POLB P06746 3/20 0.49
MITF O75030 1/20 0.49
RORC P51449 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL6640573 0.86 LMNA (0.52) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6683660 0.84 S1PR1 (0.48) LMNAS1PR1S1PR3
SCHEMBL6677363 0.84 NPC1 (0.48) MAPTSMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL6678296 0.80 POLB (0.46) MAPTALDH1A1POLBLMNAS1PR1
SCHEMBL31155757 0.76 CHRNB2 (0.69) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL6682828 0.76 S1PR1 (0.46) S1PR1S1PR3
SCHEMBL6685612 0.75 S1PR1 (0.46) MAPTNPC1RAB9AALDH1A1RXFP1
SCHEMBL6640445 0.75 MAPT (0.49) MAPTNPC1ALDH1A1KMT2AMEN1
SCHEMBL6681703 0.75 S1PR1 (0.44) ALDH1A1CYP3A4S1PR1S1PR3
SCHEMBL6496388 0.75 ABCG2 (0.56) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed