SCHEMBL6640445

SCHEMBL6640445

Cc1cc(-c2ccccc2)c(C(=O)Nc2ccc(NCCc3ccccn3)c([N+](=O)[O-])c2)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
PKM P14618 3/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
S1PR1 P21453 4/20 0.41
S1PR3 Q99500 3/20 0.41
TRPV1 Q8NER1 1/20 0.41
BCL2L1 Q07817 1/20 0.40
BAK1 Q16611 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMO Q99835 2/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL6638338 0.88 S1PR1 (0.43) MAPTLMNAKMT2AMEN1S1PR1
SCHEMBL6685612 0.87 S1PR1 (0.46) MAPTLMNAKMT2AMEN1NPC1
SCHEMBL6641308 0.87 PKM (0.51) MAPTPKMLMNAKMT2AMEN1
SCHEMBL6803739 0.84 SMO (0.48) MAPTPKMLMNAKMT2AMEN1
SCHEMBL7081482 0.83 PKM (0.49) MAPTPKMLMNAKMT2AMEN1
SCHEMBL6798429 0.83 SMO (0.57) MAPTPKMLMNATRPV1SMO
SCHEMBL6683684 0.83 HTR2A (0.47) S1PR1S1PR3HTR2AHTR2CHTR2B
SCHEMBL6643055 0.82 SMO (0.46) MAPTPKMLMNAKMT2AMEN1
SCHEMBL6791040 0.79 PKM (0.49) MAPTPKMLMNAKMT2AMEN1
SCHEMBL6640573 0.79 LMNA (0.52) MAPTLMNAKMT2AMEN1NPC1

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-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed