SCHEMBL9832051

SCHEMBL9832051

CCOC(=O)Oc1ccn(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 3/20 0.45
PDE4D Q08499 1/20 0.44
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C9 P11712 1/20 0.43
ELOVL1 Q9BW60 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL13495377 0.77 GAA (0.42) NPC1RAB9AMAPTTSHRHSD17B10
SCHEMBL9681520 0.77 NPC1 (0.58) NPC1RAB9AMAPTTSHRHSD17B10
SCHEMBL27690103 0.76 KMT2A (0.60) MAPTTSHRHSD17B10HTTL3MBTL1
SCHEMBL4431148 0.76 GABRA2 (0.39) NPC1RAB9AGAACYP2C9ALDH1A1
SCHEMBL28298003 0.75 KDM4E (0.49) NPC1MAPTTSHRHSD17B10HTT
SCHEMBL10919111 0.74 ELOVL1 (0.45) NPC1MAPTTSHRHSD17B10HTT
SCHEMBL10584537 0.74 GABRA2 (0.45) MAPTMAPK1ALDH1A1KMT2AKDM4E
SCHEMBL9832518 0.74 ALDH1A1 (0.56) NPC1RAB9AMAPTTSHRHSD17B10
SCHEMBL28767728 0.74 MAPT (0.52) MAPTTSHRHSD17B10HTTL3MBTL1
SCHEMBL11397324 0.73 GAA (0.72) NPC1RAB9AHSD17B10L3MBTL1GAA

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
EP-0269806-B1 PHENYLPYRAZOLE CARBONIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS PLANT GROWTH REGULATORS AND ANTIDOTES HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-27 EP disclosed
EP-0269806-A1 Phenylpyrazole carbonic acid derivatives, their preparation and use as plant growth regulators and antidotes HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-08 EP disclosed