SCHEMBL20139683

SCHEMBL20139683

Cn1cc(C=O)cc1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.51
MEN1 O00255 6/20 0.51
TSHR P16473 5/20 0.51
USP2 O75604 3/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 3/20 0.50
SLC6A7 Q99884 1/20 0.50
APOBEC3A P31941 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL20140717 0.83 KMT2A (0.49) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL20139281 0.81 POLB (0.52) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL20159302 0.80 TP53 (0.53) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL3383184 0.77 HRH3 (0.57)
SCHEMBL20142393 0.77 MEN1 (0.56) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL24610019 0.77 TSHR (0.66) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL30125105 0.75 CYP1A2 (0.58) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL5658689 0.75 USP2 (0.78) KMT2AMEN1TSHRUSP2ALDH1A1
SCHEMBL9268443 0.72 HDAC10 (0.66) KMT2AMEN1ALDH1A1POLB
SCHEMBL16403979 0.72 MGLL (0.48) KMT2AMEN1TSHRUSP2ALDH1A1

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