SCHEMBL14623976

SCHEMBL14623976

CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.84
HTT P42858 6/20 0.84
SMN1; SMN2 Q16637 5/20 0.84
TSHR P16473 1/20 0.84
ALDH1A1 P00352 3/20 0.79
ATM Q13315 1/20 0.79
TP53 P04637 3/20 0.78
MAPK1 P28482 3/20 0.76
GFER P55789 1/20 0.76
RAB9A P51151 1/20 0.69
KDM4E B2RXH2 1/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 6/20 0.67
HIF1A Q16665 1/20 0.63
KMT2A Q03164 1/20 0.63
PCSK9 Q8NBP7 1/20 0.63
USP2 O75604 1/20 0.62
HSD17B10 Q99714 1/20 0.62

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
SCHEMBL19560453 0.83 LMNA (0.75) LMNAHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL31575415 0.83 SMN1; SMN2 (0.65) LMNAHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL31575433 0.82 RAB9A (0.63) LMNAHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL17786245 0.82 SMN1; SMN2 (0.71) LMNAHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL8259965 0.82 TSHR (0.80) LMNAHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL31575414 0.81 RAB9A (0.78) LMNAHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL17786270 0.80 LMNA (0.64) LMNAHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL31575430 0.78 HIF1A (0.68) LMNAHTTSMN1; SMN2TP53RAB9A
SCHEMBL16079521 0.78 TP53 (0.82) LMNAHTTSMN1; SMN2TSHRALDH1A1
SCHEMBL13939659 0.77 ALDH1A1 (0.80) LMNAHTTSMN1; SMN2TSHRALDH1A1

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-2007008541-A2 CELLULAR CHOLESTEROL ABSORPTION MODIFIERS KALYPSYS, INC. (US) 2007-01-18 WO disclosed