SCHEMBL7746045

SCHEMBL7746045

OCc1nc2ccccc2n1CCCCF

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
RAB9A P51151 3/20 0.64
TP53 P04637 2/20 0.64
NPC1 O15118 1/20 0.64
POLB P06746 3/20 0.64
LMNA P02545 4/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPK1 P28482 2/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CXCR4 P61073 1/20 0.51
TSHR P16473 2/20 0.48
TNF P01375 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
SCHEMBL7741401 0.85 MEN1 (0.59) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL1520593 0.85 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL1520195 0.82 POLB (0.73) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL4765452 0.82 POLB (0.64) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL15908544 0.81 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL9979854 0.80 BACE1 (0.54) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL1520364 0.80 POLB (0.69) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL9977940 0.79 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL6488431 0.79 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL7740446 0.79 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ATP53NPC1POLB

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