SCHEMBL7745595

SCHEMBL7745595

CN(C)CCn1c(Cn2cnc3ccccc32)nc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
PKM P14618 3/20 0.65
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.48
CYP11B1 P15538 6/20 0.48
CYP11B2 P19099 6/20 0.48
TNF P01375 1/20 0.48
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL7740999 0.82 HTR2A (0.61) LMNAPKMPOLBHTTSMN1; SMN2
SCHEMBL23927879 0.80 TDP1 (0.70) LMNAPKMTDP1CYP11B1CYP11B2
SCHEMBL7746704 0.80 TOP2A (0.55) LMNAPKMPOLBHTTMAPK1
SCHEMBL7747969 0.79 TOP2A (0.46) LMNAPKMPOLBMEN1KMT2A
SCHEMBL7745134 0.79 HTR2A (0.47) LMNAPKMPOLBHTTSMN1; SMN2
SCHEMBL5858823 0.77 POLB (0.48) LMNATDP1POLBKMT2AALDH1A1
SCHEMBL7745467 0.77 TOP2A (0.49) LMNAPOLBMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL5859906 0.76 POLB (0.47) LMNAPKMTDP1POLBKMT2A
SCHEMBL7744925 0.76 POLB (0.47) LMNAPKMPOLBMAPK1MEN1
SCHEMBL7745480 0.75 TOP2A (0.47) LMNAPKMPOLBMAPK1MEN1

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