SCHEMBL11549665

SCHEMBL11549665

NC(=O)c1cnn(CCOC(=O)c2ccc(O)cc2)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 2/20 0.41
ALDH1A1 P00352 3/20 0.40
ESR1 P03372 4/20 0.40
TSHR P16473 2/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H2 P55055 1/20 0.39
RNASEL Q05823 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL11543964 0.89 ALDH1A1 (0.43) MEN1KMT2AATMALDH1A1TSHR
SCHEMBL11545925 0.82 PAX8 (0.44) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL11544982 0.80 TSHR (0.40) KMT2ATSHRCA2NPC1RAB9A
SCHEMBL11573906 0.78 LMNA (0.38) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL11546972 0.77 GLA (0.38) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL11473364 0.76 KMT2A (0.43) MEN1KMT2AATMALDH1A1ESR1
SCHEMBL11549663 0.73 CA12 (0.45) MEN1KMT2AALDH1A1ESR1TSHR
SCHEMBL11545682 0.70 TSHR (0.36) ALDH1A1TSHRSMN1; SMN2LMNAKDM4E
SCHEMBL11545003 0.70 TSHR (0.40) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL11544871 0.69 PARP1 (0.39) MEN1KMT2AATMALDH1A1TSHR

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-4145554-A BACTERICIDES, MICROBIOCIDES, HERBICIDES, PARASITICDES ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed