SCHEMBL7745247

SCHEMBL7745247

COC(=O)c1nn(CC(=O)O)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.60
PLAU P00749 3/20 0.60
F2 P00734 2/20 0.60
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ROCK1 Q13464 1/20 0.50
ALOX15 P16050 1/20 0.46
GLA P06280 1/20 0.45
PTGER4 P35408 1/20 0.45
GAA P10253 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
SCHEMBL13690853 0.88 ELANE (0.64) ELANEPLAUF2KDM4EALDH1A1
SCHEMBL26204710 0.85 ELANE (0.59) ELANEPLAUF2KDM4EALDH1A1
SCHEMBL1897336 0.84 PTGER4 (0.59) ELANEPLAUF2ALDH1A1SMN1; SMN2
SCHEMBL29781847 0.84 HSD17B10 (0.61) HSD17B10KDM4EALDH1A1LMNAHPGD
SCHEMBL12481560 0.84 HSD17B10 (0.61) HSD17B10KDM4EALDH1A1LMNAHPGD
SCHEMBL28726087 0.83 HSD17B10 (0.65) HSD17B10KDM4EALDH1A1LMNAHPGD
SCHEMBL31429235 0.83 ELANE (0.57) ELANEPLAUF2KDM4EALDH1A1
SCHEMBL15607599 0.83 HSD17B10 (0.57) HSD17B10KDM4EALDH1A1LMNAHPGD
SCHEMBL4055759 0.83 ELANE (0.51) ELANEPLAUF2HSD17B10KDM4E
SCHEMBL7745499 0.83 KDM4E (0.52) ELANEPLAUF2KDM4EALDH1A1

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