SCHEMBL7745674

SCHEMBL7745674

CNc1nc2ccccc2n1Cc1nc2ccccc2n1CCC(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
LMNA P02545 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TP53 P04637 3/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 3/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL7740951 0.83 TSHR (0.56) TSHRMAPK1LMNAMAPTMEN1
SCHEMBL7745601 0.82 TSHR (0.68) TSHRMAPK1LMNAMAPTMEN1
SCHEMBL7740507 0.82 MAPK1 (0.68) TSHRMAPK1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL5858859 0.80 TSHR (0.70) TSHRMAPK1LMNAMAPTMEN1
SCHEMBL14733928 0.79 TSHR (1.00) TSHRMAPK1LMNAMAPTMEN1
SCHEMBL7740380 0.78 MAPK1 (0.76) TSHRMAPK1LMNAMAPTMEN1
SCHEMBL7740954 0.78 TSHR (0.76) TSHRMAPK1LMNAMAPTMEN1
SCHEMBL3729168 0.78 TSHR (0.76) TSHRMAPK1LMNAMAPTMEN1
SCHEMBL5859138 0.77 TSHR (0.65) TSHRMAPK1LMNAMAPTMEN1
Hydrochloric Acid SCHEMBL16163295 0.77 TSHR (0.74) TSHRMAPK1LMNAMAPTMEN1

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