SCHEMBL20142393

SCHEMBL20142393

Cc1c(C=O)cc(C(=O)N2CCN(c3ccccc3)CC2)n1C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 4/20 0.53
TSHR P16473 4/20 0.52
ALDH1A1 P00352 3/20 0.52
USP2 O75604 2/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
THRB P10828 1/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.47
POLB P06746 2/20 0.47
SLC6A7 Q99884 1/20 0.47
APOBEC3A P31941 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46

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
SCHEMBL20139231 0.82 KDM4E (0.59) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL20140557 0.81 SCD5 (0.44) MEN1KMT2AMAPTPOLBCTDSP1
SCHEMBL20139784 0.81 SCD5 (0.44) MEN1KMT2AMAPTPOLBCTDSP1
SCHEMBL20139783 0.81 SCD5 (0.44) MEN1KMT2AMAPTPOLBCTDSP1
SCHEMBL20139683 0.77 KMT2A (0.51) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL20140579 0.75 ALDH1A1 (0.64) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL30239278 0.73 TSHR (0.63) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL28967163 0.73 TSHR (0.63) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL5658689 0.72 USP2 (0.78) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL20139799 0.72 POLB (0.46) ALDH1A1LMNAMAPK1HSD17B10POLB

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed