SCHEMBL8364740

SCHEMBL8364740

N#CCCn1c(CO)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.64
POLB P06746 3/20 0.64
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 3/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
TP53 P04637 3/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 2/20 0.55
TSHR P16473 2/20 0.55
HTT P42858 1/20 0.55
MAPK1 P28482 3/20 0.53
MEN1 O00255 2/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TNF P01375 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL6488431 0.91 SMN1; SMN2 (0.61) LMNAPOLBKMT2AKDM4ESMN1; SMN2
SCHEMBL6944134 0.86 ALDH1A1 (0.62) LMNAPOLBKMT2AKDM4ESMN1; SMN2
SCHEMBL24943126 0.85 LMNA (0.64) LMNAPOLBKMT2AKDM4ESMN1; SMN2
SCHEMBL8365517 0.85 LMNA (0.68) LMNAPOLBKMT2AKDM4ESMN1; SMN2
SCHEMBL20665112 0.82 LMNA (0.61) LMNAPOLBKMT2AKDM4ESMN1; SMN2
SCHEMBL1520195 0.82 POLB (0.73) LMNAPOLBKMT2AKDM4ESMN1; SMN2
SCHEMBL7013605 0.80 LMNA (0.56) LMNAPOLBKMT2AKDM4ESMN1; SMN2
SCHEMBL7006301 0.80 LMNA (0.59) LMNAPOLBKMT2AKDM4ESMN1; SMN2
SCHEMBL1520364 0.80 POLB (0.69) LMNAPOLBKMT2AKDM4ESMN1; SMN2
SCHEMBL7133651 0.79 LMNA (0.58) LMNAPOLBKMT2AKDM4ESMN1; SMN2

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-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed