SCHEMBL20103013

SCHEMBL20103013

Clc1ccc(-n2ncc3c(NCC4CCCO4)nc(I)nc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.74
HPGD P15428 5/20 0.74
HSD17B10 Q99714 4/20 0.74
NPC1 O15118 3/20 0.74
RAB9A P51151 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
TSHR P16473 3/20 0.74
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
TP53 P04637 2/20 0.74
LMNA P02545 2/20 0.74
STAT1 P42224 1/20 0.74
ALDH1A1 P00352 5/20 0.59
MAPK1 P28482 4/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
RECQL P46063 1/20 0.54
NLRP3 Q96P20 2/20 0.46
TNK2 Q07912 5/20 0.44

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
SCHEMBL20103018 0.90 KDM4E (0.76) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL25680996 0.88 KDM4E (0.74) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL25681076 0.87 KDM4E (0.71) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL25681170 0.80 KDM4E (0.62) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL16446197 0.65 TNK2 (0.58) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL16445965 0.65 TNK2 (0.58) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL16445963 0.65 TNK2 (0.58) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL20102974 0.65 KDM4E (0.60) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL20102972 0.65 ALDH1A1 (0.74) KDM4EHPGDHSD17B10NPC1RAB9A
SCHEMBL16445925 0.64 PDE5A (0.72) KDM4EHSD17B10NPC1SMN1; SMN2TSHR

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-2018081451-A1 SMALL MOLECULE PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5) INHIBITORS AND METHODS OF TREATMENT INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-05-03 WO disclosed