SCHEMBL14747892

SCHEMBL14747892

CC1=C(C)CCC(N2CCOCC2)=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
HTT P42858 4/20 0.43
TP53 P04637 2/20 0.43
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
USP2 O75604 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 4/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL18160868 0.82 MAPT (0.44) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL11517565 0.76 MAPT (0.55) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL12662873 0.71 KDM4E (0.40) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL9445166 0.69 MAPT (0.74) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL3631370 0.69 MAPT (0.53) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL19623828 0.68 MAPT (0.36) MAPTHTTTP53STAT3SMN1; SMN2
SCHEMBL27793746 0.66 LMNA (0.43) MAPTHTTTP53SMN1; SMN2KMT2A
SCHEMBL12618683 0.66 CYP11B1 (0.46) MAPTHTTTP53KMT2AMEN1
SCHEMBL6436512 0.65 MAPT (0.42) MAPTHTTTP53STAT3SMN1; SMN2
Ethylene SCHEMBL10418999 0.63 MAPT (0.35) MAPTHTTTP53STAT3SMN1; SMN2

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-2275413-B1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-03-06 EP disclosed