SCHEMBL7740446

SCHEMBL7740446

[C-]#[N+]CCCn1c(CO)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
RAB9A P51151 3/20 0.61
TP53 P04637 2/20 0.61
NPC1 O15118 1/20 0.61
POLB P06746 2/20 0.61
LMNA P02545 4/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPK1 P28482 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 2/20 0.46
TNF P01375 1/20 0.46
HPGD P15428 1/20 0.46
CXCR4 P61073 1/20 0.45

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
SCHEMBL7740592 0.91 POLB (0.64) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL1520195 0.80 POLB (0.73) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL1520593 0.79 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL7746045 0.79 SMN1; SMN2 (0.64) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL1520364 0.77 POLB (0.69) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL6488431 0.77 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL7741245 0.77 KMT2A (0.59) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL7747798 0.76 MEN1 (0.41) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL7745194 0.75 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ATP53NPC1POLB
SCHEMBL7745578 0.75 TSHR (0.41) 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 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