SCHEMBL18569178

SCHEMBL18569178

Cc1ccc(-c2ccccc2)c(NC2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.48
ADORA2A P29274 1/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
NR2F2 P24468 1/20 0.45
KDM4E B2RXH2 5/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
IDO1 P14902 2/20 0.45
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL29242785 0.77 ALOX15 (0.53) MEN1KMT2ANPC1KDM4EALDH1A1
SCHEMBL5608474 0.77 HDAC8 (0.59) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL23609342 0.76 LMNA (0.46) ADORA1ADORA2AMEN1KMT2ANPC1
SCHEMBL2361893 0.74 KDM4E (0.59) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL28344648 0.74 MAPT (0.58) ADORA1ADORA2AMEN1KMT2ANPC1
SCHEMBL23783923 0.73 HDAC7 (0.45) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL25876784 0.73 KDM4E (0.53) ADORA1ADORA2AMEN1KMT2ANPC1
SCHEMBL1341748 0.72 KDM4E (0.56) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL11847765 0.72 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL3673876 0.72 ALDH1A1 (0.38) NPC1RAB9AKDM4EMAPTIDO1

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
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed