SCHEMBL7745166

SCHEMBL7745166

CNC(=O)/C(=N/OC)c1ccccc1Oc1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 3/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
HIF1A Q16665 1/20 0.36
KCNMA1 Q12791 1/20 0.36
ATM Q13315 1/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
AR P10275 1/20 0.35
MAOB P27338 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10434202 0.88 HTT (0.55) LMNAHTTHIF1AALDH1A1L3MBTL1
SCHEMBL8954616 0.86 HTT (0.40) TSHRLMNAHTTHIF1AKMT2A
SCHEMBL8369938 0.86 HTT (0.40) TSHRLMNAHTTHIF1AKMT2A
SCHEMBL8369940 0.86 HTT (0.40) TSHRLMNAHTTHIF1AKMT2A
SCHEMBL3370228 0.86 LMNA (0.51) TSHRLMNAHTTCA1CA2
SCHEMBL5195934 0.86 LMNA (0.51) TSHRLMNAHTTCA1CA2
SCHEMBL3370230 0.86 LMNA (0.51) TSHRLMNAHTTCA1CA2
Metominostrobin SCHEMBL54680 0.85 RAB9A (0.49) TSHRLMNAHTTKMT2AKDM4E
Metominostrobin SCHEMBL912965 0.85 RAB9A (0.49) TSHRLMNAHTTKMT2AKDM4E
Metominostrobin SCHEMBL29736874 0.85 RAB9A (0.49) TSHRLMNAHTTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001014322-A1 CYCLOALKYLALKANE CARBOXYLIC ACID AMIDES, THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-03-01 WO disclosed
EP-0970044-A1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
EP-0885194-A1 PYRIDYL-PHENYL- AND BENZYLETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES AND FOR CONTROLLING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
WO-1998041499-A1 CYCLOALKYLALKANECARBOXAMIDES AND THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed
WO-1997030032-A1 PYRIDYL-PHENYL- AND BENZYLETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES AND FOR CONTROLLING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1997-08-21 WO disclosed