SCHEMBL20054584

SCHEMBL20054584

CNc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCCN4C(=O)Cc4cccnc4)cc3)o2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RXFP3 Q9NSD7 2/20 0.41
NAMPT P43490 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FKBP1A P62942 1/20 0.40
CHRNA7 P36544 4/20 0.40
KCNH2 Q12809 4/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39

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
SCHEMBL20054585 0.95 MEN1 (0.46) MEN1KMT2ARXFP3NAMPTHRH3
SCHEMBL2197337 0.93 HCRTR1 (0.45) MEN1KMT2ARXFP3NAMPTHRH3
SCHEMBL2179845 0.91 ALDH1A1 (0.42) MEN1KMT2ARXFP3HRH3ALDH1A1
SCHEMBL12488545 0.91 ALDH1A1 (0.42) MEN1KMT2ARXFP3HRH3ALDH1A1
SCHEMBL2193840 0.83 HSD17B10 (0.53) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL2195941 0.83 HSD17B10 (0.53) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL27896406 0.81 PORCN (0.39) MEN1KMT2ARXFP3HRH3ALDH1A1
SCHEMBL2175697 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL12489099 0.81 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL15125394 0.81 FKBP1A (0.40) MEN1KMT2ARXFP3HRH3FKBP1A

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
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed