SCHEMBL7741245

SCHEMBL7741245

[C-]#[N+]CCn1c(CCl)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
LMNA P02545 4/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TP53 P04637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CXCR4 P61073 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
SCHEMBL7740592 0.85 POLB (0.64) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL3059715 0.80 MEN1 (0.64) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL102779 0.78 MEN1 (0.77) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL7740446 0.77 SMN1; SMN2 (0.61) KMT2AMEN1LMNAPOLBTSHR
SCHEMBL3729168 0.76 TSHR (0.76) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL18148387 0.76 RAB9A (0.64) KMT2AMEN1LMNAMAPTRECQL
SCHEMBL7741401 0.76 MEN1 (0.59) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL8365517 0.76 LMNA (0.68) KMT2AMEN1LMNAPOLBMAPT
SCHEMBL4155796 0.76 MEN1 (0.68) KMT2AMEN1LMNAMAPTTSHR
SCHEMBL31183018 0.76 MEN1 (0.68) KMT2AMEN1LMNAMAPTTSHR

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