SCHEMBL20139231

SCHEMBL20139231

Cc1c(C=O)cc(C(=O)N2CCN(c3ccccn3)CC2)n1C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
HSD17B10 Q99714 4/20 0.58
ALOX15 P16050 1/20 0.58
ALDH1A1 P00352 7/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HPGD P15428 2/20 0.57
TSHR P16473 1/20 0.56
POLB P06746 2/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.51
SLC6A7 Q99884 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL20142393 0.82 MEN1 (0.56) HSD17B10ALDH1A1MEN1KMT2ATSHR
SCHEMBL27822699 0.79 HSD17B10 (0.66) KDM4EHSD17B10ALOX15ALDH1A1MEN1
SCHEMBL14562620 0.73 ALDH1A1 (0.64) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL12082726 0.73 KDM4E (1.00) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL20159231 0.72 MTOR (0.68) KDM4EHSD17B10ALOX15ALDH1A1MEN1
SCHEMBL4550239 0.72 ALDH1A1 (0.76) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL27580597 0.71 ALDH1A1 (0.82) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL34468359 0.71 ALDH1A1 (0.78) KDM4EHSD17B10ALOX15ALDH1A1MEN1
SCHEMBL3580034 0.70 KDM4E (0.92) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL5909237 0.70 KDM4E (0.74) KDM4EALDH1A1MEN1KMT2AHPGD

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