SCHEMBL7745019

SCHEMBL7745019

CC(=O)CCn1c(Cn2nc(I)c3ccccc32)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1B1 P15121 1/20 0.46
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIN1 Q13526 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL7745216 0.83 TSHR (0.50) KDM4ELMNAKMT2AAKR1B1HPGD
SCHEMBL7745475 0.82 AKR1B1 (0.41) KDM4ELMNAKMT2AAKR1B1RECQL
SCHEMBL7745460 0.81 TSHR (0.61) KDM4ELMNAKMT2AAKR1B1RECQL
SCHEMBL7745467 0.81 TOP2A (0.49) KDM4ELMNAKMT2AAKR1B1HPGD
SCHEMBL7740405 0.81 KDM4E (0.43) KDM4ELMNAKMT2AAKR1B1RECQL
SCHEMBL7745824 0.81 MEN1 (0.40) KDM4ELMNAKMT2AAKR1B1HPGD
SCHEMBL7740409 0.80 MEN1 (0.42) KMT2AAKR1B1HPGDRECQLSMN1; SMN2
SCHEMBL8365513 0.77 TP53 (0.45) KDM4ELMNAKMT2AHPGDRECQL
SCHEMBL7747798 0.77 MEN1 (0.41) KDM4ELMNAKMT2AAKR1B1HPGD
SCHEMBL7745482 0.76 LMNA (0.47) KDM4ELMNAKMT2AAKR1B1HPGD

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