SCHEMBL7745691

SCHEMBL7745691

CC(=O)c1cc2ccccc2n(Cc2nc3ccccc3n2CCCCF)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CNR1 P21554 3/20 0.45
POLB P06746 2/20 0.43
RECQL P46063 1/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 3/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
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
SCHEMBL7747488 0.85 SMN1; SMN2 (0.40) SMN1; SMN2CNR1POLBRECQLRAB9A
SCHEMBL7746911 0.84 MEN1 (0.45) SMN1; SMN2POLBRECQLRAB9AKDM4E
SCHEMBL7745921 0.83 MEN1 (0.41) SMN1; SMN2POLBRECQLRAB9ANPC1
SCHEMBL7745935 0.80 MEN1 (0.39) SMN1; SMN2POLBRECQLRAB9ANPC1
SCHEMBL7741901 0.78 POLB (0.44) SMN1; SMN2POLBRECQLRAB9ANPC1
SCHEMBL7746351 0.76 FEN1 (0.44) SMN1; SMN2POLBRECQLKDM4ETP53
SCHEMBL7741914 0.73 ALDH1A1 (0.54) SMN1; SMN2POLBRECQLKDM4EMAPK1
SCHEMBL7746317 0.72 MEN1 (0.43) SMN1; SMN2POLBRECQLTP53MAPK1
SCHEMBL7746045 0.72 SMN1; SMN2 (0.64) SMN1; SMN2POLBRAB9AKDM4ENPC1
SCHEMBL7746367 0.72 ALDH1A1 (0.48) SMN1; SMN2POLBRECQLKDM4EMAPK1

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