SCHEMBL470462

SCHEMBL470462

COc1ccccc1-c1noc(C)c1C(=O)N1CCN(c2cc(NC(=O)c3ccc(CN(C)C)cc3)c([NH+]([O-])O)cc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.40
GHSR Q92847 1/20 0.39
EPAS1 Q99814 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
SCHEMBL10087685 0.89 TSHR (0.55) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL10087680 0.89 TSHR (0.53) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL16374952 0.85 TSHR (0.51) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL470180 0.83 TSHR (0.48) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL457012 0.81 TSHR (0.56) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL458542 0.80 TSHR (0.57) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL470205 0.80 TSHR (0.54) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL458697 0.80 TSHR (0.55) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL456714 0.80 TSHR (0.56) TSHRMAPK1LMNASMN1; SMN2ALDH1A1
SCHEMBL457910 0.79 TSHR (0.56) TSHRMAPK1LMNASMN1; SMN2ALDH1A1

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
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed