SCHEMBL172780

SCHEMBL172780

Ic1ccccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
PDE4A P27815 1/20 0.45
SCN9A Q15858 1/20 0.44
AKR1C3 P42330 2/20 0.44
PRKDC P78527 1/20 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
SCHEMBL9424119 0.84 LMNA (0.62) LMNAMAPTMEN1NPC1RAB9A
SCHEMBL19510747 0.80 KEAP1 (0.54) MAPTMEN1NPC1KMT2ATDP1
SCHEMBL30350850 0.80 KEAP1 (0.54) MAPTMEN1NPC1KMT2ATDP1
SCHEMBL172953 0.78 KEAP1 (0.57) LMNAMAPTMEN1NPC1KMT2A
SCHEMBL28028134 0.77 ALDH1A1 (0.44) LMNAMAPTMEN1NPC1RAB9A
SCHEMBL18077915 0.77 CTSB (0.56) LMNAMAPTMEN1KMT2AL3MBTL1
SCHEMBL4979249 0.77 AKR1C3 (0.67) LMNAMAPTMEN1NPC1RAB9A
SCHEMBL23277135 0.75 ADRB1 (0.57) LMNARAB9AALDH1A1KDM4EAKR1C3
SCHEMBL33868 0.75 GAA (0.55) LMNAMAPTMEN1NPC1RAB9A
SCHEMBL20702723 0.75 LMNA (0.52) LMNAMAPTMEN1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016073956-A1 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-05-12 WO disclosed
EP-2751108-B1 BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION NOVARTIS AG (CH) 2016-04-27 EP disclosed
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed